replace 1 oxygen to CH2
    1.0
            16.61000000 0.00000000 0.00000000 
            0.00000000 16.61000000 0.00000000 
            0.00000000 0.00000000 16.61000000 
  Si O C H
  72 143 1 2
Direct
        0.10632714 0.10620257 0.99851060      	#	1      	Si1
        0.27068272 0.05931979 0.37855207      	#	2      	Si2
        0.06182389 0.27050294 0.12445274      	#	3      	Si3
        0.23018827 0.22413051 0.24845956      	#	4      	Si4
        0.10572888 0.10889870 0.50082324      	#	5      	Si5
        0.27374844 0.06314636 0.87330815      	#	6      	Si6
        0.05576487 0.27526626 0.62539543      	#	7      	Si7
        0.22343466 0.22709757 0.74931635      	#	8      	Si8
        0.10778708 0.43925147 0.00178054      	#	9      	Si9
        0.27304519 0.39329006 0.37349915      	#	10     	Si10
        0.06160665 0.60776432 0.12663986      	#	11     	Si11
        0.23073623 0.56106166 0.24926164      	#	12     	Si12
        0.10769610 0.44043658 0.49998041      	#	13     	Si13
        0.27127318 0.39390074 0.87448916      	#	14     	Si14
        0.05636634 0.60501964 0.62481256      	#	15     	Si15
        0.22442675 0.56107875 0.75050544      	#	16     	Si16
        0.10690453 0.77380064 0.99897763      	#	17     	Si17
        0.26807231 0.72426155 0.38124576      	#	18     	Si18
        0.05748826 0.94082509 0.12225987      	#	19     	Si19
        0.21322743 0.89036360 0.25954645      	#	20     	Si20
        0.10396647 0.76978662 0.50381300      	#	21     	Si21
        0.27489956 0.72720094 0.87569194      	#	22     	Si22
        0.06702977 0.93948764 0.62823956      	#	23     	Si23
        0.23156566 0.89485378 0.75176628      	#	24     	Si24
        0.43783624 0.10877727 0.99745343      	#	25     	Si25
        0.60904167 0.06189298 0.37197476      	#	26     	Si26
        0.39520001 0.27519510 0.12514822      	#	27     	Si27
        0.55997325 0.22782547 0.24985687      	#	28     	Si28
        0.43962417 0.09788887 0.50313092      	#	29     	Si29
        0.60698916 0.05824863 0.87492383      	#	30     	Si30
        0.39101714 0.26937129 0.62231144      	#	31     	Si31
        0.55855673 0.22463545 0.74846624      	#	32     	Si32
        0.43903415 0.43992106 0.99870948      	#	33     	Si33
        0.60787649 0.39350718 0.37403025      	#	34     	Si34
        0.39535065 0.60546180 0.12408921      	#	35     	Si35
        0.56086398 0.55905590 0.24855108      	#	36     	Si36
        0.44016886 0.43851964 0.49856726      	#	37     	Si37
        0.60511409 0.39317868 0.87456940      	#	38     	Si38
        0.39096326 0.60712344 0.62454075      	#	39     	Si39
        0.55958311 0.56160801 0.75013414      	#	40     	Si40
        0.44212366 0.77276734 0.00105260      	#	41     	Si41
        0.60342110 0.72611371 0.37400002      	#	42     	Si42
        0.39495426 0.94265923 0.12522215      	#	43     	Si43
        0.56658515 0.89486057 0.24614348      	#	44     	Si44
        0.43726430 0.77563069 0.50054015      	#	45     	Si45
        0.60891651 0.72808762 0.87423497      	#	46     	Si46
        0.39754763 0.93839271 0.62945532      	#	47     	Si47
        0.56235257 0.89228330 0.74995098      	#	48     	Si48
        0.77329716 0.10688040 0.99879692      	#	49     	Si49
        0.94121129 0.05906555 0.37497808      	#	50     	Si50
        0.72707274 0.27229501 0.12463144      	#	51     	Si51
        0.89475442 0.22735759 0.25019046      	#	52     	Si52
        0.77392403 0.11034474 0.49820098      	#	53     	Si53
        0.94070221 0.06096828 0.87360964      	#	54     	Si54
        0.72752025 0.27365665 0.62647478      	#	55     	Si55
        0.89221030 0.22981250 0.75279737      	#	56     	Si56
        0.77272540 0.43953500 0.00074375      	#	57     	Si57
        0.93961669 0.39445676 0.37583800      	#	58     	Si58
        0.72679847 0.60713761 0.12458490      	#	59     	Si59
        0.89437023 0.56165276 0.25068964      	#	60     	Si60
        0.77308046 0.44040896 0.50088132      	#	61     	Si61
        0.93815672 0.39312665 0.87769938      	#	62     	Si62
        0.72635031 0.60736031 0.62493073      	#	63     	Si63
        0.89283215 0.55698280 0.74933040      	#	64     	Si64
        0.77622357 0.77192578 0.99914003      	#	65     	Si65
        0.93934177 0.72952249 0.37394186      	#	66     	Si66
        0.73092907 0.93821335 0.12199532      	#	67     	Si67
        0.89308585 0.89483687 0.24791936      	#	68     	Si68
        0.77169835 0.77441016 0.49821369      	#	69     	Si69
        0.94141277 0.72438178 0.87404632      	#	70     	Si70
        0.72595914 0.94144282 0.62248896      	#	71     	Si71
        0.89466783 0.89396611 0.74877425      	#	72     	Si72
        0.07402711 0.05602945 0.10603501      	#	73     	O1
        0.25841336 0.11020754 0.26645278      	#	74     	O2
        0.08994954 0.22152959 0.01518733      	#	75     	O3
        0.25647406 0.27759105 0.35698257      	#	76     	O4
        0.27929705 0.26189940 0.14215368      	#	77     	O5
        0.11289048 0.22563908 0.22782567      	#	78     	O6
        0.22193460 0.11527468 0.47603494      	#	79     	O7
        0.05750710 0.06370461 0.39725748      	#	80     	O8
        0.08402384 0.05581764 0.61070453      	#	81     	O9
        0.23623211 0.11126828 0.76699285      	#	82     	O10
        0.07500391 0.22160365 0.51588161      	#	83     	O11
        0.25549512 0.27786139 0.85746453      	#	84     	O12
        0.27421727 0.26463354 0.64342108      	#	85     	O13
        0.10688437 0.23504810 0.73001800      	#	86     	O14
        0.22256658 0.09505365 0.98094635      	#	87     	O15
        0.05664877 0.06986903 0.89249685      	#	88     	O16
        0.08072460 0.38638011 0.11033126      	#	89     	O17
        0.24002687 0.44456961 0.26627928      	#	90     	O18
        0.09456430 0.55569317 0.01972118      	#	91     	O19
        0.27534539 0.60928288 0.35320237      	#	92     	O20
        0.27934192 0.59450581 0.14174120      	#	93     	O21
        0.11423236 0.57761388 0.23505432      	#	94     	O22
        0.22365624 0.42957509 0.48024388      	#	95     	O23
        0.05595642 0.40518023 0.39358156      	#	96     	O24
        0.07777624 0.38980567 0.60815306      	#	97     	O25
        0.23622382 0.44479538 0.76801305      	#	98     	O26
        0.09585145 0.55652238 0.51879776      	#	99     	O27
        0.25750630 0.61154096 0.85824793      	#	100    	O28
        0.27518473 0.59340516 0.64302460      	#	101    	O29
        0.10843445 0.57654901 0.73322703      	#	102    	O30
        0.22317610 0.42978737 0.98114350      	#	103    	O31
        0.05529740 0.40330478 0.89505410      	#	104    	O32
        0.07418862 0.72366763 0.10691136      	#	105    	O33
        0.21543165 0.77388332 0.28393302      	#	106    	O34
        0.08991005 0.88919400 0.01519213      	#	107    	O35
        0.23159786 0.94782034 0.36769949      	#	108    	O36
        0.10070295 0.90361159 0.22919329      	#	109    	O38
        0.21562449 0.73587339 0.49154025      	#	110    	O39
        0.05444185 0.74740152 0.39278445      	#	111    	O40
        0.05573646 0.72132510 0.60462677      	#	112    	O41
        0.24597666 0.77890576 0.76791439      	#	113    	O42
        0.10861962 0.88677383 0.52505292      	#	114    	O43
        0.26847533 0.94619566 0.85679742      	#	115    	O44
        0.28119067 0.92989591 0.64530608      	#	116    	O45
        0.11540955 0.90726562 0.73589608      	#	117    	O46
        0.22379820 0.76564858 0.98105881      	#	118    	O47
        0.05730623 0.73795901 0.89206924      	#	119    	O48
        0.38990954 0.05851670 0.09868502      	#	120    	O49
        0.56691807 0.11132534 0.26804052      	#	121    	O50
        0.43533270 0.22502997 0.01990449      	#	122    	O51
        0.59586400 0.27744255 0.35651235      	#	123    	O52
        0.61099058 0.26027930 0.14245316      	#	124    	O53
        0.44503193 0.24541448 0.23327351      	#	125    	O54
        0.55690840 0.09005510 0.48123833      	#	126    	O55
        0.38610822 0.04592277 0.40579134      	#	127    	O56
        0.41681319 0.05211655 0.61392707      	#	128    	O57
        0.57331843 0.10878330 0.76734655      	#	129    	O58
        0.41615629 0.21389375 0.51365974      	#	130    	O59
        0.58906211 0.27684912 0.85679064      	#	131    	O60
        0.61085925 0.25943282 0.64162183      	#	132    	O61
        0.44159215 0.23094651 0.72795397      	#	133    	O62
        0.55342967 0.08639274 0.98341483      	#	134    	O63
        0.38784512 0.08581689 0.88816919      	#	135    	O64
        0.40452983 0.39072805 0.10587982      	#	136    	O65
        0.57648364 0.44357698 0.26596473      	#	137    	O66
        0.42669733 0.55562815 0.01610119      	#	138    	O67
        0.59348116 0.61000125 0.35535140      	#	139    	O68
        0.61084824 0.59492362 0.14235512      	#	140    	O69
        0.44482073 0.56749202 0.22995399      	#	141    	O70
        0.55650928 0.42959350 0.47986349      	#	142    	O71
        0.38962453 0.40251992 0.39181885      	#	143    	O72
        0.41060447 0.38547585 0.60585327      	#	144    	O73
        0.57216830 0.44506235 0.76736503      	#	145    	O74
        0.42495426 0.55546337 0.51699693      	#	146    	O75
        0.59368366 0.61212888 0.85769548      	#	147    	O76
        0.61015200 0.59603319 0.64311417      	#	148    	O77
        0.44296117 0.57499951 0.73238291      	#	149    	O78
        0.55494198 0.42784832 0.98132409      	#	150    	O79
        0.38795633 0.40489819 0.89163322      	#	151    	O80
        0.41299682 0.72118391 0.10912913      	#	152    	O81
        0.56315804 0.77782789 0.26902568      	#	153    	O82
        0.42600694 0.88893415 0.01774536      	#	154    	O83
        0.61310268 0.94484543 0.34883780      	#	155    	O84
        0.61714639 0.91649708 0.13623552      	#	156    	O85
        0.45484434 0.92612084 0.23270454      	#	157    	O86
        0.55278151 0.75474058 0.48228423      	#	158    	O87
        0.38049628 0.75785909 0.39280972      	#	159    	O88
        0.39833819 0.72415906 0.60531616      	#	160    	O89
        0.57833518 0.77755592 0.76635896      	#	161    	O90
        0.43402364 0.89055706 0.52342503      	#	162    	O91
        0.59708735 0.94250872 0.85613655      	#	163    	O92
        0.61026185 0.92807101 0.64240033      	#	164    	O93
        0.44651469 0.90076000 0.73428681      	#	165    	O94
        0.55865921 0.76622808 0.98040720      	#	166    	O95
        0.39152873 0.73324035 0.89586962      	#	167    	O96
        0.73839714 0.05508538 0.10492260      	#	168    	O97
        0.91291701 0.11173875 0.26654676      	#	169    	O98
        0.75914666 0.22264263 0.01674255      	#	170    	O99
        0.92484707 0.27840190 0.35844130      	#	171    	O100
        0.94516984 0.26556367 0.14457449      	#	172    	O101
        0.77793011 0.23496949 0.23076756      	#	173    	O102
        0.88958445 0.09321634 0.48161080      	#	174    	O103
        0.72245716 0.08819178 0.38816907      	#	175    	O104
        0.73457526 0.05824142 0.60325641      	#	176    	O105
        0.91059000 0.11381937 0.76590465      	#	177    	O106
        0.76750912 0.22574956 0.52088978      	#	178    	O107
        0.92210273 0.27820115 0.86147765      	#	179    	O108
        0.94037601 0.27388041 0.64924520      	#	180    	O109
        0.77628831 0.23881869 0.73406205      	#	181    	O110
        0.89002224 0.09684216 0.98044691      	#	182    	O111
        0.72301938 0.07262498 0.89247299      	#	183    	O112
        0.74060550 0.38857696 0.10824455      	#	184    	O113
        0.90661040 0.44541916 0.26847450      	#	185    	O114
        0.75972174 0.55569214 0.01763023      	#	186    	O115
        0.92916668 0.61284983 0.35728969      	#	187    	O116
        0.94531276 0.59564950 0.14430514      	#	188    	O117
        0.77784316 0.57411970 0.23237092      	#	189    	O118
        0.88935932 0.42953408 0.48287556      	#	190    	O119
        0.72364968 0.40510074 0.39355896      	#	191    	O120
        0.73914522 0.38993277 0.60879740      	#	192    	O121
        0.90190794 0.44149763 0.77047590      	#	193    	O122
        0.75941631 0.55624225 0.51777973      	#	194    	O123
        0.93242746 0.60807711 0.85409628      	#	195    	O124
        0.94299708 0.58208843 0.64057931      	#	196    	O125
        0.77705154 0.57369591 0.73259802      	#	197    	O126
        0.88855047 0.42901724 0.98331465      	#	198    	O127
        0.72207029 0.40326254 0.89353717      	#	199    	O128
        0.73843892 0.72321176 0.10556900      	#	200    	O129
        0.90621911 0.77885539 0.26563966      	#	201    	O130
        0.77125003 0.88853184 0.01740514      	#	202    	O131
        0.92462041 0.94427964 0.35600384      	#	203    	O132
        0.94213805 0.93177739 0.14045062      	#	204    	O133
        0.77873186 0.90675251 0.23006972      	#	205    	O134
        0.88779578 0.76397090 0.48016404      	#	206    	O135
        0.72022925 0.74037022 0.39084113      	#	207    	O136
        0.73954128 0.72357912 0.60639954      	#	208    	O137
        0.90487448 0.77669359 0.76772288      	#	209    	O138
        0.75827892 0.89036073 0.51542639      	#	210    	O139
        0.92632621 0.94487688 0.85621275      	#	211    	O140
        0.94922798 0.92707685 0.64227851      	#	212    	O141
        0.77810410 0.90818136 0.72963791      	#	213    	O142
        0.89094944 0.75312643 0.98262319      	#	214    	O143
        0.72504893 0.73961860 0.89193864      	#	215    	O144
        0.28237513 0.91650846 0.15927271      	#	216    	C1
        0.30798535 0.85667713 0.17067932      	#	217    	H1
        0.29328137 0.97090154 0.19539608      	#	218    	H2