@MOLECULE DB07535 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 -7.2161 -4.7038 3.3330 O.2 1 noname -0.2910 2 C1 -6.6522 -4.2730 2.3040 C.2 1 noname 0.0564 3 N1 -7.0389 -4.7378 1.0772 N.3 1 noname 0.0384 4 C2 -5.6218 -3.3106 2.4231 C.2 1 noname 0.0681 5 C3 -6.5093 -4.3536 -0.1209 C.2 1 noname -0.0897 6 C4 -5.0693 -2.9092 1.1802 C.2 1 noname 0.0482 7 N2 -5.5180 -3.4288 -0.0185 N.2 1 noname -0.2308 8 N3 -6.9295 -4.8447 -1.2947 N.3 1 noname -0.1251 9 C5 -3.9949 -1.9144 1.2068 C.3 1 noname -0.0061 10 C6 -3.4595 -1.5446 -0.2010 C.3 1 noname 0.0104 11 C7 -2.4000 -0.5624 -0.1604 C.2 1 noname -0.0464 12 C8 -1.0571 -1.0338 -0.0611 C.2 1 noname -0.0463 13 C9 -2.7657 0.8214 -0.2165 C.2 1 noname -0.0560 14 C10 -0.0836 -0.0140 0.0274 C.2 1 noname -0.0915 15 C11 -1.7710 1.8219 -0.1111 C.2 1 noname -0.0424 16 N4 1.2478 -0.1255 0.1262 N.3 1 noname -0.0805 17 C12 -0.4374 1.3445 0.0255 C.2 1 noname -0.0420 18 C13 1.7598 1.1186 0.2137 C.2 1 noname -0.1122 19 C14 0.7363 2.0703 0.1630 C.2 1 noname -0.0406 20 H1 -7.7795 -5.4241 1.0540 H 1 noname 0.1400 21 H2 -5.2853 -2.9157 3.3818 H 1 noname 0.0694 22 H3 -7.9114 -5.0298 -1.4423 H 1 noname 0.1268 23 H4 -6.2644 -5.0298 -2.0319 H 1 noname 0.1268 24 H5 -4.4565 -1.0166 1.6178 H 1 noname 0.0335 25 H6 -3.1782 -2.4005 1.7404 H 1 noname 0.0335 26 H7 -2.9927 -2.4379 -0.6159 H 1 noname 0.0320 27 H8 -4.2710 -1.0540 -0.7385 H 1 noname 0.0320 28 H9 -0.7950 -2.0918 -0.0534 H 1 noname 0.0645 29 H10 -3.8081 1.1152 -0.3402 H 1 noname 0.0625 30 H11 -2.0146 2.8841 -0.1337 H 1 noname 0.0629 31 H12 1.7702 -0.9898 0.1334 H 1 noname 0.1522 32 H13 2.8264 1.3217 0.3098 H 1 noname 0.0789 33 H14 0.8334 3.1545 0.2191 H 1 noname 0.0642 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 9 1 9 6 7 1 10 9 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 2 16 14 16 1 17 14 17 2 18 15 17 1 19 16 18 1 20 17 19 1 21 18 19 2 22 3 20 1 23 4 21 1 24 8 22 1 25 8 23 1 26 9 24 1 27 9 25 1 28 10 26 1 29 10 27 1 30 12 28 1 31 13 29 1 32 15 30 1 33 16 31 1 34 18 32 1 35 19 33 1 @SUBSTRUCTURE 1 noname 1