@MOLECULE 50420399 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -0.6154 -0.6269 -1.4612 O.3 1 noname -0.2323 2 C1 0.4673 -0.4719 -0.6699 C.2 1 noname 0.0887 3 C2 -1.7594 -0.0980 -0.8071 C.3 1 noname 0.0523 4 N1 0.8720 0.7976 -0.2708 N.2 1 noname -0.2593 5 C3 1.2143 -1.6133 -0.2304 C.2 1 noname 0.0064 6 C4 -2.9865 -0.2737 -1.7039 C.3 1 noname -0.0410 7 C5 1.9753 1.0338 0.5422 C.2 1 noname 0.0377 8 C6 0.8675 -2.8074 -0.5814 C.1 1 noname 0.0763 9 C7 2.3610 -1.3951 0.6123 C.2 1 noname 0.0279 10 N2 2.3050 2.2863 0.8859 N.3 1 noname 0.0029 11 C8 2.7585 -0.0751 1.0105 C.2 1 noname -0.0403 12 N3 0.5594 -3.8684 -0.8933 N.1 1 noname -0.1785 13 N4 3.0733 -2.4487 1.0344 N.3 1 noname -0.1396 14 C9 1.2884 2.8484 1.5538 C.2 1 noname -0.0315 15 C10 1.3982 4.1549 2.0156 C.2 1 noname -0.0583 16 C11 0.1241 2.1252 1.7849 C.2 1 noname -0.0583 17 C12 0.3436 4.7380 2.7084 C.2 1 noname -0.0630 18 C13 -0.9304 2.7083 2.4777 C.2 1 noname -0.0630 19 C14 -0.8206 4.0147 2.9395 C.2 1 noname -0.0832 20 H1 -1.8985 -0.7156 0.0803 H 1 noname 0.0569 21 H2 -1.5672 0.9699 -0.7032 H 1 noname 0.0569 22 H3 -3.8742 -0.4007 -1.0843 H 1 noname 0.0254 23 H4 -3.1058 0.6083 -2.3332 H 1 noname 0.0254 24 H5 -2.8536 -1.1537 -2.3332 H 1 noname 0.0254 25 H6 3.1838 2.7369 0.6743 H 1 noname 0.1357 26 H7 3.6283 0.0805 1.6488 H 1 noname 0.0673 27 H8 2.6171 -3.3356 1.1935 H 1 noname 0.1243 28 H9 4.0664 -2.3558 1.1935 H 1 noname 0.1243 29 H10 2.3112 4.7221 1.8344 H 1 noname 0.0639 30 H11 0.0380 1.1007 1.4227 H 1 noname 0.0639 31 H12 0.4297 5.7625 3.0706 H 1 noname 0.0623 32 H13 -1.8434 2.1411 2.6589 H 1 noname 0.0623 33 H14 -1.6476 4.4720 3.4828 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 4 7 1 7 5 8 1 8 5 9 2 9 7 10 1 10 7 11 2 11 8 12 3 12 9 13 1 13 9 11 1 14 10 14 1 15 14 15 2 16 14 16 1 17 15 17 1 18 16 18 2 19 17 19 2 20 18 19 1 21 3 20 1 22 3 21 1 23 6 22 1 24 6 23 1 25 6 24 1 26 10 25 1 27 11 26 1 28 13 27 1 29 13 28 1 30 15 29 1 31 16 30 1 32 17 31 1 33 18 32 1 34 19 33 1 @SUBSTRUCTURE 1 noname 1