@MOLECULE DB07164 31 34 1 SMALL USER_CHARGES @ATOM 1 N1 3.7143 -1.5277 -0.4696 N.2 1 noname -0.2216 2 C1 4.7413 -1.5416 0.4353 C.2 1 noname 0.0878 3 C2 2.4034 -1.2689 -0.1395 C.2 1 noname 0.0305 4 N2 4.3528 -1.2720 1.7198 N.2 1 noname -0.2353 5 N3 6.0120 -1.7962 0.0944 N.3 1 noname -0.0677 6 C3 1.3965 -1.2792 -1.1593 C.2 1 noname 0.0440 7 C4 2.0430 -0.9942 1.2187 C.2 1 noname -0.0162 8 C5 3.0889 -1.0047 2.1559 C.2 1 noname 0.0131 9 C6 6.0967 -3.0825 -0.4768 C.3 1 noname 0.0143 10 C7 0.0156 -1.0326 -1.0176 C.2 1 noname 0.0163 11 C8 1.5528 -1.5395 -2.5333 C.2 1 noname 0.0471 12 C9 7.5476 -3.3731 -0.8660 C.3 1 noname -0.0358 13 C10 6.9621 -3.9788 0.4112 C.3 1 noname -0.0358 14 N4 -0.5552 -1.1653 -2.2394 N.3 1 noname -0.0144 15 C11 -0.7868 -0.6919 0.1041 C.2 1 noname 0.0064 16 N5 0.3383 -1.4585 -3.1278 N.2 1 noname -0.2744 17 N6 -1.8573 -0.9942 -2.4190 N.2 1 noname -0.2482 18 C12 -2.1758 -0.4956 -0.0753 C.2 1 noname 0.0195 19 C13 -2.7037 -0.6600 -1.3831 C.2 1 noname 0.0268 20 H1 6.7659 -1.1402 0.2409 H 1 noname 0.1315 21 H2 1.0180 -0.7863 1.5257 H 1 noname 0.0661 22 H3 2.9207 -0.8068 3.2145 H 1 noname 0.0841 23 H4 5.1147 -3.1262 -0.9477 H 1 noname 0.0469 24 H5 2.4790 -1.7700 -3.0598 H 1 noname 0.0864 25 H6 7.6838 -4.0650 -1.6971 H 1 noname 0.0283 26 H7 8.2490 -2.5516 -0.7202 H 1 noname 0.0283 27 H8 7.3023 -3.5310 1.3450 H 1 noname 0.0283 28 H9 6.7371 -5.0445 0.3681 H 1 noname 0.0283 29 H10 -0.3412 -0.5822 1.0928 H 1 noname 0.0644 30 H11 -2.8167 -0.2272 0.7646 H 1 noname 0.0640 31 H12 -3.7652 -0.5288 -1.5931 H 1 noname 0.0856 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 2 7 4 8 2 8 5 9 1 9 6 10 2 10 6 11 1 11 7 8 1 12 9 12 1 13 9 13 1 14 10 14 1 15 10 15 1 16 11 16 2 17 12 13 1 18 14 17 1 19 14 16 1 20 15 18 2 21 17 19 2 22 18 19 1 23 5 20 1 24 7 21 1 25 8 22 1 26 9 23 1 27 11 24 1 28 12 25 1 29 12 26 1 30 13 27 1 31 13 28 1 32 15 29 1 33 18 30 1 34 19 31 1 @SUBSTRUCTURE 1 noname 1