@MOLECULE FDBD01891 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.0057 1.6734 -0.5971 C.3 1 UNK -0.0378 2 C1 -0.5775 0.2415 -0.4034 C.ar 1 UNK -0.0260 3 C2 -0.4708 -0.6010 -1.4925 C.ar 1 UNK -0.0145 4 C3 -0.0772 -1.9188 -1.3144 C.ar 1 UNK 0.1336 5 C4 0.2096 -2.3921 -0.0423 C.ar 1 UNK -0.0174 6 C5 0.1040 -1.5512 1.0477 C.ar 1 UNK -0.0369 7 C6 -0.2846 -0.2296 0.8696 C.ar 1 UNK 0.0324 8 N -0.3915 0.6232 1.9732 N.pl3 1 UNK -0.3358 9 C7 -1.3774 0.1160 2.9369 C.3 1 UNK 0.0004 10 C8 0.9158 0.8226 2.6130 C.3 1 UNK 0.0004 11 O 0.0272 -2.7480 -2.3876 O.3 1 UNK -0.4115 12 C9 1.1088 -2.5955 -3.1750 C.2 1 UNK 0.4053 13 O1 1.9833 -1.8123 -2.8611 O.2 1 UNK -0.2260 14 N1 1.2215 -3.3115 -4.3113 N.am 1 UNK -0.2839 15 C10 2.3982 -3.1456 -5.1680 C.3 1 UNK 0.0032 16 H -0.1270 2.2955 -0.7672 H 1 UNK 0.0278 17 H1 -1.6706 1.7404 -1.4582 H 1 UNK 0.0278 18 H2 -1.5292 2.0198 0.2940 H 1 UNK 0.0278 19 H3 -0.6943 -0.2335 -2.4832 H 1 UNK 0.0657 20 H4 0.5154 -3.4187 0.0955 H 1 UNK 0.0655 21 H5 0.3270 -1.9199 2.0380 H 1 UNK 0.0637 22 H6 -1.0706 -0.8701 3.2857 H 1 UNK 0.0428 23 H7 -1.4406 0.7979 3.7850 H 1 UNK 0.0428 24 H8 -2.3525 0.0439 2.4552 H 1 UNK 0.0428 25 H9 1.6077 1.2642 1.8958 H 1 UNK 0.0428 26 H10 0.8039 1.4895 3.4679 H 1 UNK 0.0428 27 H11 1.3056 -0.1379 2.9500 H 1 UNK 0.0428 28 H12 0.5234 -3.9366 -4.5619 H 1 UNK 0.1517 29 H13 2.3127 -3.8020 -6.0339 H 1 UNK 0.0427 30 H14 2.4614 -2.1099 -5.5020 H 1 UNK 0.0427 31 H15 3.2962 -3.4013 -4.6055 H 1 UNK 0.0427 @BOND 1 1 2 1 2 1 16 1 3 1 17 1 4 1 18 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 19 1 9 4 5 ar 10 4 11 1 11 5 6 ar 12 5 20 1 13 6 7 ar 14 6 21 1 15 7 8 1 16 8 9 1 17 8 10 1 18 9 22 1 19 9 23 1 20 9 24 1 21 10 25 1 22 10 26 1 23 10 27 1 24 11 12 1 25 12 13 2 26 12 14 am 27 14 15 1 28 14 28 1 29 15 29 1 30 15 30 1 31 15 31 1