@MOLECULE DB00914 30 30 1 SMALL USER_CHARGES @ATOM 1 N1 -4.7516 -1.8823 1.8100 N.2 1 noname -0.2673 2 C1 -3.8861 -1.4461 0.9816 C.2 1 noname -0.1090 3 N2 -3.8347 -0.1677 0.7002 N.3 1 noname -0.0016 4 N3 -3.0482 -2.2764 0.4117 N.3 1 noname -0.1192 5 C2 -3.5952 0.5110 1.7948 C.2 1 noname -0.1129 6 C3 -2.1966 -1.5628 -0.4563 C.3 1 noname 0.0064 7 N4 -3.5041 1.7819 1.7497 N.2 1 noname -0.2687 8 N5 -3.4494 -0.1161 2.9356 N.3 1 noname -0.1298 9 C4 -1.2180 -2.5325 -1.1218 C.3 1 noname 0.0132 10 C5 -0.3361 -1.7936 -2.0206 C.2 1 noname -0.0570 11 C6 0.8630 -1.2746 -1.5463 C.2 1 noname -0.0637 12 C7 -0.6956 -1.6090 -3.3506 C.2 1 noname -0.0637 13 C8 1.7026 -0.5710 -2.4020 C.2 1 noname -0.0630 14 C9 0.1441 -0.9055 -4.2063 C.2 1 noname -0.0630 15 C10 1.3431 -0.3865 -3.7320 C.2 1 noname -0.0684 16 H1 -4.4276 -1.7190 2.7526 H 1 noname 0.1898 17 H2 -3.9603 0.2326 -0.2185 H 1 noname 0.1392 18 H3 -3.0571 -3.2681 0.6032 H 1 noname 0.1306 19 H4 -2.8483 -1.1543 -1.2286 H 1 noname 0.0436 20 H5 -1.6261 -0.8920 0.1863 H 1 noname 0.0436 21 H6 -3.4777 2.1511 2.6894 H 1 noname 0.1898 22 H7 -2.5255 -0.3578 3.2645 H 1 noname 0.1267 23 H8 -4.2607 -0.3578 3.4864 H 1 noname 0.1267 24 H9 -0.5764 -2.9405 -0.3408 H 1 noname 0.0329 25 H10 -1.7986 -3.2028 -1.7556 H 1 noname 0.0329 26 H11 1.1449 -1.4193 -0.5034 H 1 noname 0.0625 27 H12 -1.6358 -2.0160 -3.7225 H 1 noname 0.0625 28 H13 2.6429 -0.1641 -2.0301 H 1 noname 0.0622 29 H14 -0.1378 -0.7608 -5.2492 H 1 noname 0.0622 30 H15 2.0015 0.1652 -4.4030 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 2 7 5 8 1 8 6 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 11 13 1 13 12 14 2 14 13 15 2 15 14 15 1 16 1 16 1 17 3 17 1 18 4 18 1 19 6 19 1 20 6 20 1 21 7 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 14 29 1 30 15 30 1 @SUBSTRUCTURE 1 noname 1