Response_PMDAODA_CPU
    1.0
            40.00000000 0.00000000 0.00000000 
            0.00000000 40.00000000 0.00000000 
            0.00000000 0.00000000 40.00000000 
  C N O H
  22 2 5 12
Direct
        0.48280441 0.13779589 0.00469822      	#	1      	oxydiphenylene_pyromellitide_1::C1
        0.51163898 0.16101011 0.00997719      	#	2      	oxydiphenylene_pyromellitide_1::C2
        0.53641490 0.14398005 0.02813354      	#	3      	oxydiphenylene_pyromellitide_1::C3
        0.52392799 0.10942676 0.03539626      	#	4      	oxydiphenylene_pyromellitide_1::C4
        0.56675783 0.15884118 0.03674559      	#	5      	oxydiphenylene_pyromellitide_1::C5
        0.57059791 0.19181084 0.02614285      	#	6      	oxydiphenylene_pyromellitide_1::C6
        0.54568561 0.20885208 0.00833384      	#	7      	oxydiphenylene_pyromellitide_1::C7
        0.51542118 0.19402766 0.99957265      	#	8      	oxydiphenylene_pyromellitide_1::C8
        0.55781602 0.24339805 0.00123148      	#	9      	oxydiphenylene_pyromellitide_1::C9
        0.59960438 0.21491073 0.03082643      	#	10     	oxydiphenylene_pyromellitide_1::C10
        0.61046103 0.27469344 0.01407048      	#	11     	oxydiphenylene_pyromellitide_1::C11
        0.59921098 0.30432555 0.02889671      	#	12     	oxydiphenylene_pyromellitide_1::C12
        0.61842157 0.33320105 0.02684131      	#	13     	oxydiphenylene_pyromellitide_1::C13
        0.64897926 0.33258268 0.00974004      	#	14     	oxydiphenylene_pyromellitide_1::C14
        0.66041580 0.30297648 0.99499353      	#	15     	oxydiphenylene_pyromellitide_1::C15
        0.64104834 0.27407259 0.99728661      	#	16     	oxydiphenylene_pyromellitide_1::C16
        0.69256585 0.36591384 0.98604454      	#	17     	oxydiphenylene_pyromellitide_1::C17
        0.68540532 0.37866531 0.95436270      	#	18     	oxydiphenylene_pyromellitide_1::C18
        0.71159760 0.38437729 0.93199965      	#	19     	oxydiphenylene_pyromellitide_1::C19
        0.74452137 0.37725869 0.94125504      	#	20     	oxydiphenylene_pyromellitide_1::C20
        0.75129650 0.36450465 0.97306181      	#	21     	oxydiphenylene_pyromellitide_1::C21
        0.72530717 0.35881797 0.99572025      	#	22     	oxydiphenylene_pyromellitide_1::C22
        0.49220834 0.10798771 0.02053216      	#	23     	oxydiphenylene_pyromellitide_1::N1
        0.59015199 0.24538291 0.01550109      	#	24     	oxydiphenylene_pyromellitide_1::N2
        0.66647054 0.36228004 0.00900651      	#	25     	oxydiphenylene_pyromellitide_1::O1
        0.45653032 0.14278660 0.98997237      	#	26     	oxydiphenylene_pyromellitide_1::O2
        0.53746760 0.08682773 0.05081517      	#	27     	oxydiphenylene_pyromellitide_1::O3
        0.54351020 0.26579891 0.98624723      	#	28     	oxydiphenylene_pyromellitide_1::O4
        0.62615483 0.20934509 0.04480217      	#	29     	oxydiphenylene_pyromellitide_1::O5
        0.58611338 0.14560925 0.05068287      	#	30     	oxydiphenylene_pyromellitide_1::H1
        0.49612120 0.20726105 0.98556092      	#	31     	oxydiphenylene_pyromellitide_1::H2
        0.57521263 0.30479854 0.04184475      	#	32     	oxydiphenylene_pyromellitide_1::H3
        0.60999258 0.35656928 0.03809839      	#	33     	oxydiphenylene_pyromellitide_1::H4
        0.68419825 0.30250128 0.98169701      	#	34     	oxydiphenylene_pyromellitide_1::H5
        0.64979869 0.25092017 0.98585713      	#	35     	oxydiphenylene_pyromellitide_1::H6
        0.65954752 0.38423129 0.94769468      	#	36     	oxydiphenylene_pyromellitide_1::H7
        0.70619445 0.39458725 0.90726764      	#	37     	oxydiphenylene_pyromellitide_1::H8
        0.77699999 0.35900932 0.98040545      	#	38     	oxydiphenylene_pyromellitide_1::H9
        0.73013485 0.34908984 0.02073893      	#	39     	oxydiphenylene_pyromellitide_1::H10
        0.47741893 0.08729451 0.02127670      	#	40     	H_head
        0.76493231 0.38178451 0.92371297      	#	41     	H_tail