@MOLECULE DB03056 32 33 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0520 0.5076 0.5611 N.3 1 noname -0.3002 2 C1 0.7733 -0.3493 1.4109 C.3 1 noname 0.0120 3 C2 -0.8043 1.4853 1.4165 C.3 1 noname -0.0015 4 C3 0.7672 1.0039 -0.5949 C.3 1 noname -0.0015 5 C4 -0.1224 -1.1116 2.3895 C.3 1 noname -0.0249 6 C5 1.7659 0.5128 2.1935 C.3 1 noname -0.0249 7 C6 -1.1393 2.8453 0.7398 C.3 1 noname -0.0403 8 C7 1.2141 2.4920 -0.5082 C.3 1 noname -0.0403 9 C8 0.7412 -2.0082 3.2789 C.3 1 noname -0.0033 10 C9 2.6295 -0.3839 3.0829 C.3 1 noname -0.0033 11 C10 0.0643 3.4443 -0.0531 C.3 1 noname -0.0509 12 N2 2.0179 -1.5131 3.7574 N.3 1 noname -0.3165 13 H1 1.2994 -1.0404 0.7525 H 1 noname 0.0468 14 H2 -1.7604 1.0016 1.6164 H 1 noname 0.0430 15 H3 -0.1266 1.7138 2.2391 H 1 noname 0.0430 16 H4 1.6807 0.4100 -0.5633 H 1 noname 0.0430 17 H5 0.1024 0.9359 -1.4560 H 1 noname 0.0430 18 H6 -0.5798 -0.3679 3.0421 H 1 noname 0.0295 19 H7 -0.7505 -1.7723 1.7919 H 1 noname 0.0295 20 H8 2.4337 0.9668 1.4615 H 1 noname 0.0295 21 H9 1.1776 1.1438 2.8597 H 1 noname 0.0295 22 H10 -1.9109 2.6302 0.0006 H 1 noname 0.0279 23 H11 -1.3424 3.5424 1.5527 H 1 noname 0.0279 24 H12 1.9697 2.5336 0.2763 H 1 noname 0.0279 25 H13 1.4680 2.7892 -1.5257 H 1 noname 0.0279 26 H14 0.1682 -2.1590 4.1937 H 1 noname 0.0428 27 H15 1.0159 -2.8630 2.6607 H 1 noname 0.0428 28 H16 3.3571 -0.8491 2.4178 H 1 noname 0.0428 29 H17 2.9676 0.2492 3.9032 H 1 noname 0.0428 30 H18 -0.3719 3.8156 -0.9805 H 1 noname 0.0267 31 H19 0.5372 4.1375 0.6426 H 1 noname 0.0267 32 H20 2.4735 -1.9474 4.5473 H 1 noname 0.1222 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 6 1 6 3 7 1 7 4 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 8 11 1 12 9 12 1 13 10 12 1 14 2 13 1 15 3 14 1 16 3 15 1 17 4 16 1 18 4 17 1 19 5 18 1 20 5 19 1 21 6 20 1 22 6 21 1 23 7 22 1 24 7 23 1 25 8 24 1 26 8 25 1 27 9 26 1 28 9 27 1 29 10 28 1 30 10 29 1 31 11 30 1 32 11 31 1 33 12 32 1 @SUBSTRUCTURE 1 noname 1