@MOLECULE DB03030 32 34 1 SMALL USER_CHARGES @ATOM 1 S1 1.7005 -0.0644 -0.0824 S.3 1 noname -0.2051 2 C1 -0.0530 0.0351 -0.0046 C.2 1 noname 0.0375 3 C2 2.1271 1.6202 0.1622 C.2 1 noname 0.0179 4 C3 -1.0201 -0.9533 0.2039 C.2 1 noname 0.0318 5 C4 -0.2778 1.4144 0.0564 C.2 1 noname -0.0058 6 C5 0.8655 2.2306 0.1551 C.2 1 noname -0.0206 7 N1 -2.3497 -0.7918 0.0764 N.2 1 noname -0.2247 8 C6 -0.7934 -2.2461 0.6628 C.2 1 noname -0.0584 9 C7 -2.9410 -1.9440 0.4322 C.2 1 noname -0.0426 10 N2 -1.9961 -2.8294 0.7868 N.3 1 noname -0.0415 11 C8 -2.2283 -4.1517 1.2178 C.3 1 noname -0.0189 12 C9 -2.3866 -4.1698 2.6691 C.2 1 noname -0.0572 13 C10 -3.5706 -4.6301 3.2333 C.2 1 noname -0.0604 14 C11 -1.3534 -3.7268 3.4865 C.2 1 noname -0.0604 15 C12 -3.7213 -4.6474 4.6150 C.2 1 noname -0.0654 16 C13 -1.5041 -3.7440 4.8682 C.2 1 noname -0.0654 17 C14 -2.6881 -4.2043 5.4325 C.2 1 noname -0.0650 18 C15 -2.8464 -4.2225 6.8837 C.3 1 noname -0.0029 19 H1 3.0395 2.2008 0.2982 H 1 noname 0.0739 20 H2 -1.2854 1.8291 0.0286 H 1 noname 0.0638 21 H3 0.7756 3.3146 0.2248 H 1 noname 0.0631 22 H4 0.1621 -2.7205 0.8866 H 1 noname 0.0815 23 H5 -4.0149 -2.1306 0.4330 H 1 noname 0.1015 24 H6 -3.1821 -4.4498 0.7825 H 1 noname 0.0523 25 H7 -1.3231 -4.7112 0.9821 H 1 noname 0.0523 26 H8 -4.3809 -4.9775 2.5923 H 1 noname 0.0626 27 H9 -0.4249 -3.3658 3.0440 H 1 noname 0.0626 28 H10 -4.6498 -5.0083 5.0575 H 1 noname 0.0625 29 H11 -0.6939 -3.3966 5.5092 H 1 noname 0.0625 30 H12 -2.8844 -5.2546 7.2322 H 1 noname 0.0279 31 H13 -2.0018 -3.7132 7.3478 H 1 noname 0.0279 32 H14 -3.7712 -3.7132 7.1547 H 1 noname 0.0279 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 2 5 3 6 2 6 4 7 1 7 4 8 2 8 5 6 1 9 7 9 2 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 2 15 12 14 1 16 13 15 1 17 14 16 2 18 15 17 2 19 16 17 1 20 17 18 1 21 3 19 1 22 5 20 1 23 6 21 1 24 8 22 1 25 9 23 1 26 11 24 1 27 11 25 1 28 13 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 18 30 1 33 18 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1