@MOLECULE 128824 30 33 1 SMALL USER_CHARGES @ATOM 1 O1 1.3858 -0.0106 -0.0273 O.3 1 noname -0.3540 2 C1 1.7485 1.2938 -0.0762 C.2 1 noname 0.1318 3 C2 0.0517 0.0242 0.1028 C.2 1 noname 0.0302 4 N1 0.6841 2.1088 0.0189 N.2 1 noname -0.2013 5 N2 3.0129 1.7190 -0.2037 N.3 1 noname -0.0643 6 C3 -0.4029 1.3514 0.1163 C.2 1 noname 0.0412 7 C4 -0.8584 -1.0396 0.1907 C.2 1 noname 0.0118 8 C5 -1.7448 1.7667 0.1836 C.2 1 noname 0.0016 9 C6 -2.2645 -0.7174 0.2606 C.2 1 noname -0.0192 10 C7 -2.6524 0.6878 0.2431 C.2 1 noname -0.0273 11 C8 -3.2684 -1.7684 0.3509 C.2 1 noname -0.0204 12 C9 -4.6664 -1.4280 0.4173 C.2 1 noname 0.0115 13 C10 -2.8912 -3.1673 0.3804 C.2 1 noname -0.0258 14 C11 -5.5911 -2.4810 0.5071 C.2 1 noname 0.0439 15 C12 -3.8015 -4.2412 0.4701 C.2 1 noname 0.0023 16 N3 -6.9226 -2.4209 0.5793 N.2 1 noname -0.2007 17 C13 -5.1453 -3.8100 0.5296 C.2 1 noname 0.0278 18 C14 -7.3189 -3.7117 0.6474 C.2 1 noname 0.1318 19 O2 -6.2540 -4.5592 0.6182 O.3 1 noname -0.3545 20 N4 -8.5966 -4.1065 0.7327 N.3 1 noname -0.0643 21 H1 3.7682 1.0502 -0.2518 H 1 noname 0.1278 22 H2 3.2105 2.7083 -0.2518 H 1 noname 0.1278 23 H3 -0.4912 -2.0658 0.2041 H 1 noname 0.0657 24 H4 -2.0489 2.8134 0.1891 H 1 noname 0.0646 25 H5 -3.7089 0.9538 0.2773 H 1 noname 0.0629 26 H6 -5.0169 -0.3961 0.4001 H 1 noname 0.0652 27 H7 -1.8354 -3.4337 0.3311 H 1 noname 0.0630 28 H8 -3.5000 -5.2885 0.4912 H 1 noname 0.0651 29 H9 -9.3363 -3.4195 0.7649 H 1 noname 0.1278 30 H10 -8.8200 -5.0909 0.7649 H 1 noname 0.1278 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 6 8 1 9 7 9 2 10 8 10 2 11 9 11 1 12 9 10 1 13 11 12 2 14 11 13 1 15 12 14 1 16 13 15 2 17 14 16 1 18 14 17 2 19 15 17 1 20 16 18 2 21 17 19 1 22 18 20 1 23 18 19 1 24 5 21 1 25 5 22 1 26 7 23 1 27 8 24 1 28 10 25 1 29 12 26 1 30 13 27 1 31 15 28 1 32 20 29 1 33 20 30 1 @SUBSTRUCTURE 1 noname 1