@MOLECULE DB01437 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.1489 -3.6002 0.7739 O.2 1 noname -0.2859 2 C1 -0.3522 -2.6960 0.4420 C.2 1 noname 0.0844 3 N1 1.1201 -2.8599 0.2411 N.3 1 noname 0.0767 4 C2 -0.7255 -1.2126 0.1688 C.3 1 noname 0.0694 5 C3 1.9358 -2.0489 1.2052 C.2 1 noname 0.0798 6 C4 -0.4642 -0.8862 -1.3224 C.2 1 noname -0.0485 7 C5 0.0049 -0.3829 1.2754 C.3 1 noname -0.0269 8 C6 -2.1961 -1.0932 0.6496 C.3 1 noname -0.0380 9 O2 2.8782 -2.5554 1.8517 O.2 1 noname -0.2895 10 C7 1.5543 -0.5487 1.3631 C.3 1 noname 0.0229 11 C8 -1.3893 -1.2549 -2.3748 C.2 1 noname -0.0530 12 C9 0.7760 -0.2466 -1.7422 C.2 1 noname -0.0530 13 C10 -2.6891 0.3388 0.4322 C.3 1 noname -0.0640 14 C11 -1.1254 -0.9670 -3.7582 C.2 1 noname -0.0595 15 C12 1.0614 0.0382 -3.1060 C.2 1 noname -0.0595 16 C13 0.1045 -0.3241 -4.0949 C.2 1 noname -0.0614 17 H1 1.5209 -3.4548 -0.4699 H 1 noname 0.1400 18 H2 -0.1559 0.6608 1.0053 H 1 noname 0.0285 19 H3 -0.3775 -0.7662 2.2214 H 1 noname 0.0285 20 H4 -2.7968 -1.7300 0.0002 H 1 noname 0.0278 21 H5 -2.1942 -1.2604 1.7267 H 1 noname 0.0278 22 H6 1.8446 -0.2574 2.3725 H 1 noname 0.0361 23 H7 1.9750 -0.0276 0.5031 H 1 noname 0.0361 24 H8 -2.3164 -1.7669 -2.1167 H 1 noname 0.0625 25 H9 1.5255 0.0319 -1.0013 H 1 noname 0.0625 26 H10 -2.8538 0.8169 1.3978 H 1 noname 0.0231 27 H11 -1.9410 0.8995 -0.1281 H 1 noname 0.0231 28 H12 -3.6240 0.3201 -0.1281 H 1 noname 0.0231 29 H13 -1.8427 -1.2306 -4.5355 H 1 noname 0.0622 30 H14 1.9951 0.5248 -3.3878 H 1 noname 0.0622 31 H15 0.3198 -0.1029 -5.1403 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 4 7 1 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 2 11 6 12 1 12 7 10 1 13 8 13 1 14 11 14 1 15 12 15 2 16 14 16 2 17 15 16 1 18 3 17 1 19 7 18 1 20 7 19 1 21 8 20 1 22 8 21 1 23 10 22 1 24 10 23 1 25 11 24 1 26 12 25 1 27 13 26 1 28 13 27 1 29 13 28 1 30 14 29 1 31 15 30 1 32 16 31 1 @SUBSTRUCTURE 1 noname 1