@MOLECULE DB00784 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7856 -0.5156 -2.3618 O.2 1 noname -0.2586 2 C1 0.1238 -0.7391 -1.5339 C.2 1 noname 0.0853 3 O2 0.9696 -1.7741 -1.7232 O.3 1 noname -0.2183 4 C2 0.2643 0.0781 -0.4183 C.2 1 noname -0.0086 5 C3 1.2756 -0.1704 0.5024 C.2 1 noname 0.0196 6 C4 -0.6065 1.1439 -0.2234 C.2 1 noname -0.0087 7 N1 2.1151 -1.1978 0.3145 N.3 1 noname -0.0172 8 C5 1.4161 0.6468 1.6180 C.2 1 noname -0.0438 9 C6 -0.4660 1.9611 0.8922 C.2 1 noname -0.0680 10 C7 3.1723 -0.7861 -0.3986 C.2 1 noname -0.0405 11 C8 0.5453 1.7126 1.8129 C.2 1 noname -0.0373 12 C9 4.1848 -1.6823 -0.7209 C.2 1 noname -0.0639 13 C10 3.2566 0.5371 -0.8158 C.2 1 noname -0.0712 14 C11 5.2815 -1.2552 -1.4606 C.2 1 noname -0.0663 15 C12 4.0963 -3.0721 -0.2827 C.3 1 noname 0.0013 16 C13 4.3533 0.9642 -1.5554 C.2 1 noname -0.0740 17 C14 5.3657 0.0680 -1.8778 C.2 1 noname -0.0918 18 C15 6.3449 -2.1965 -1.7992 C.3 1 noname -0.0019 19 H1 1.2504 -2.1178 -0.8719 H 1 noname 0.2216 20 H2 -1.3995 1.3388 -0.9453 H 1 noname 0.0631 21 H3 1.9730 -2.1371 0.6572 H 1 noname 0.1342 22 H4 2.2092 0.4520 2.3399 H 1 noname 0.0639 23 H5 -1.1488 2.7968 1.0451 H 1 noname 0.0622 24 H6 0.6555 2.3534 2.6877 H 1 noname 0.0623 25 H7 2.4627 1.2399 -0.5629 H 1 noname 0.0639 26 H8 4.0939 -3.1102 0.8066 H 1 noname 0.0280 27 H9 3.1763 -3.5154 -0.6638 H 1 noname 0.0280 28 H10 4.9527 -3.6285 -0.6638 H 1 noname 0.0280 29 H11 4.4193 2.0018 -1.8825 H 1 noname 0.0623 30 H12 6.2257 0.4029 -2.4578 H 1 noname 0.0625 31 H13 6.7880 -2.5887 -0.8838 H 1 noname 0.0280 32 H14 5.9304 -3.0182 -2.3833 H 1 noname 0.0280 33 H15 7.1102 -1.6854 -2.3833 H 1 noname 0.0280 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 7 10 1 10 8 11 2 11 9 11 1 12 10 12 2 13 10 13 1 14 12 14 1 15 12 15 1 16 13 16 2 17 14 17 2 18 14 18 1 19 16 17 1 20 3 19 1 21 6 20 1 22 7 21 1 23 8 22 1 24 9 23 1 25 11 24 1 26 13 25 1 27 15 26 1 28 15 27 1 29 15 28 1 30 16 29 1 31 17 30 1 32 18 31 1 33 18 32 1 34 18 33 1 @SUBSTRUCTURE 1 noname 1