@MOLECULE DB03218 34 34 1 SMALL USER_CHARGES @ATOM 1 O1 0.7281 -0.3379 1.3604 O.3 1 noname -0.3450 2 C1 1.5804 -0.9756 0.3551 C.3 1 noname 0.1813 3 C2 0.3448 1.0692 1.2288 C.3 1 noname 0.1119 4 N1 0.8053 -1.7408 -0.4842 N.2 1 noname -0.1606 5 C3 2.4773 -0.0246 -0.4902 C.3 1 noname 0.1292 6 C4 0.4105 1.6703 -0.2060 C.3 1 noname 0.1111 7 C5 -1.0591 1.2711 1.8026 C.3 1 noname 0.0722 8 C6 1.0147 -2.9949 -0.5787 C.2 1 noname 0.0743 9 O2 3.6109 0.3600 0.2736 O.3 1 noname -0.3854 10 C7 1.7102 1.2504 -0.9610 C.3 1 noname 0.1129 11 O3 0.3443 3.0867 -0.1292 O.3 1 noname -0.3874 12 O4 -1.0670 0.9046 3.1745 O.3 1 noname -0.3934 13 O5 1.9757 -3.5587 0.1292 O.3 1 noname -0.2274 14 N2 0.2960 -3.7044 -1.3569 N.2 1 noname -0.1483 15 O6 1.4395 1.1536 -2.3515 O.3 1 noname -0.3873 16 C8 0.0728 -4.9286 -1.0791 C.2 1 noname 0.0518 17 O7 0.5858 -5.4614 0.0142 O.3 1 noname -0.2609 18 C9 -0.7333 -5.7244 -1.9519 C.3 1 noname 0.0003 19 H1 2.1959 -1.6695 0.9275 H 1 noname 0.0894 20 H2 1.1187 1.5586 1.8201 H 1 noname 0.0657 21 H3 2.8782 -0.5603 -1.3507 H 1 noname 0.0677 22 H4 -0.4695 1.3725 -0.7761 H 1 noname 0.0657 23 H5 -1.2807 2.3382 1.7854 H 1 noname 0.0591 24 H6 -1.7298 0.5672 1.3098 H 1 noname 0.0591 25 H7 3.4053 0.2903 1.2088 H 1 noname 0.2107 26 H8 2.4071 2.0763 -0.8179 H 1 noname 0.0657 27 H9 0.3316 3.3570 0.7919 H 1 noname 0.2106 28 H10 -1.0674 -0.0525 3.2501 H 1 noname 0.2101 29 H11 1.7900 -3.4497 1.0648 H 1 noname 0.2215 30 H12 1.3903 0.2287 -2.6043 H 1 noname 0.2106 31 H13 0.5550 -6.4187 -0.0514 H 1 noname 0.2195 32 H14 -1.3845 -6.3672 -1.3596 H 1 noname 0.0317 33 H15 -1.3402 -5.0729 -2.5807 H 1 noname 0.0317 34 H16 -0.0897 -6.3396 -2.5807 H 1 noname 0.0317 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 2 8 5 9 1 9 5 10 1 10 6 11 1 11 6 10 1 12 7 12 1 13 8 13 1 14 8 14 1 15 10 15 1 16 14 16 2 17 16 17 1 18 16 18 1 19 2 19 1 20 3 20 1 21 5 21 1 22 6 22 1 23 7 23 1 24 7 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 12 28 1 29 13 29 1 30 15 30 1 31 17 31 1 32 18 32 1 33 18 33 1 34 18 34 1 @SUBSTRUCTURE 1 noname 1