@MOLECULE 71308691 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -3.0185 -0.3709 1.4250 O.2 1 noname -0.2859 2 O2 -3.6925 -0.6964 -2.6866 O.2 1 noname -0.2895 3 N1 -2.8915 0.5676 -0.8035 N.3 1 noname 0.0767 4 N2 1.3145 -2.6703 5.1070 N.3 1 noname -0.1559 5 C1 -0.7789 -0.3024 0.3237 C.3 1 noname 0.0695 6 C2 -0.5864 -1.1688 -1.0006 C.3 1 noname -0.0269 7 C3 -0.0161 1.0380 0.0870 C.3 1 noname -0.0380 8 C4 -0.2204 -0.9259 1.6108 C.2 1 noname -0.0810 9 C5 -1.2703 -0.6897 -2.3293 C.3 1 noname 0.0229 10 C6 -2.3321 -0.0646 0.4262 C.2 1 noname 0.0844 11 C7 -2.7236 -0.3053 -2.0004 C.2 1 noname 0.0798 12 C8 1.4641 0.7446 -0.1660 C.3 1 noname -0.0640 13 C9 0.4927 -2.1894 1.5741 C.2 1 noname -0.0570 14 C10 -0.3764 -0.2764 2.8996 C.2 1 noname -0.0570 15 C11 1.0233 -2.7916 2.7494 C.2 1 noname -0.0686 16 C12 0.1564 -0.8529 4.0979 C.2 1 noname -0.0686 17 C13 0.8337 -2.1078 3.9898 C.2 1 noname -0.0364 18 H1 -0.8647 -2.2036 -0.8014 H 1 noname 0.0285 19 H2 0.4841 -1.2464 -1.1907 H 1 noname 0.0285 20 H3 -0.4384 1.5484 -0.7786 H 1 noname 0.0278 21 H4 -0.1154 1.6729 0.9674 H 1 noname 0.0278 22 H5 -1.2649 -1.5033 -3.0546 H 1 noname 0.0361 23 H6 -0.7389 0.2089 -2.6427 H 1 noname 0.0361 24 H7 -3.3134 1.4408 -0.8222 H 1 noname 0.1400 25 H8 1.9970 1.6809 -0.3313 H 1 noname 0.0231 26 H9 1.5633 0.1097 -1.0464 H 1 noname 0.0231 27 H10 1.8864 0.2341 0.6996 H 1 noname 0.0231 28 H11 0.6176 -2.6604 0.6780 H 1 noname 0.0626 29 H12 -0.8769 0.6107 2.9532 H 1 noname 0.0626 30 H13 1.5217 -3.6806 2.7078 H 1 noname 0.0639 31 H14 0.0560 -0.3840 4.9982 H 1 noname 0.0639 32 H15 1.1154 -2.1013 5.8669 H 1 noname 0.1242 33 H16 0.9009 -3.5382 5.2357 H 1 noname 0.1242 @BOND 1 1 10 2 2 2 11 2 3 3 10 1 4 3 11 1 5 3 24 1 6 4 17 1 7 4 32 1 8 4 33 1 9 5 6 1 10 5 7 1 11 5 8 1 12 5 10 1 13 6 9 1 14 6 18 1 15 6 19 1 16 7 12 1 17 7 20 1 18 7 21 1 19 8 13 2 20 8 14 1 21 9 11 1 22 9 22 1 23 9 23 1 24 12 25 1 25 12 26 1 26 12 27 1 27 13 15 1 28 13 28 1 29 14 16 2 30 14 29 1 31 15 17 2 32 15 30 1 33 16 17 1 34 16 31 1 @SUBSTRUCTURE 1 noname 1