@MOLECULE 76964725 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.8757 -0.9995 -1.2587 O.3 1 noname -0.3867 2 N1 -0.1660 -3.6868 0.2260 N.3 1 noname -0.3009 3 C1 0.6590 -2.4005 0.0218 C.3 1 noname 0.0367 4 C2 -0.0879 -1.0079 -0.0732 C.3 1 noname 0.0943 5 C3 1.6063 -2.5430 -1.2287 C.3 1 noname -0.0467 6 C4 -1.1357 -3.5990 1.3617 C.3 1 noname -0.0045 7 C5 0.7611 0.2382 0.0136 C.2 1 noname -0.0418 8 C6 0.6489 -4.9276 0.4893 C.3 1 noname -0.0129 9 C7 -2.4161 -4.4735 1.3473 C.3 1 noname -0.0524 10 C8 0.1859 1.5143 -0.2102 C.2 1 noname -0.0486 11 C9 2.1541 0.2026 0.3134 C.2 1 noname -0.0486 12 C10 0.9877 2.6847 -0.2425 C.2 1 noname -0.0583 13 C11 2.9706 1.3325 0.1534 C.2 1 noname -0.0583 14 C12 2.3850 2.5857 -0.0939 C.2 1 noname -0.0610 15 H1 1.2957 -2.3166 0.9058 H 1 noname 0.0494 16 H2 -0.8037 -0.9211 0.7348 H 1 noname 0.0668 17 H3 2.2899 -1.7130 -1.4457 H 1 noname 0.0247 18 H4 1.0091 -2.7627 -2.1137 H 1 noname 0.0247 19 H5 2.2046 -3.4393 -1.0654 H 1 noname 0.0247 20 H6 -1.4093 -2.5568 1.5260 H 1 noname 0.0427 21 H7 -0.5795 -3.9080 2.2467 H 1 noname 0.0427 22 H8 -0.0183 -5.7796 0.6195 H 1 noname 0.0394 23 H9 1.2411 -4.7882 1.3937 H 1 noname 0.0394 24 H10 1.3132 -5.1119 -0.3551 H 1 noname 0.0394 25 H11 -2.9992 -4.2787 2.2474 H 1 noname 0.0243 26 H12 -3.0126 -4.2300 0.4681 H 1 noname 0.0243 27 H13 -2.1365 -5.5266 1.3164 H 1 noname 0.0243 28 H14 -0.8228 1.6172 -0.3758 H 1 noname 0.0626 29 H15 2.6302 -0.6471 0.6185 H 1 noname 0.0626 30 H16 -1.5296 -1.7285 -1.2215 H 1 noname 0.2109 31 H17 0.5567 3.6004 -0.3989 H 1 noname 0.0622 32 H18 3.9866 1.2331 0.2187 H 1 noname 0.0622 33 H19 2.9855 3.4085 -0.1829 H 1 noname 0.0622 @BOND 1 4 1 1 2 1 30 1 3 3 2 1 4 2 6 1 5 2 8 1 6 3 4 1 7 3 5 1 8 3 15 1 9 4 7 1 10 4 16 1 11 5 17 1 12 5 18 1 13 5 19 1 14 6 9 1 15 6 20 1 16 6 21 1 17 7 10 2 18 7 11 1 19 8 22 1 20 8 23 1 21 8 24 1 22 9 25 1 23 9 26 1 24 9 27 1 25 10 12 1 26 10 28 1 27 11 13 2 28 11 29 1 29 12 14 2 30 12 31 1 31 13 14 1 32 13 32 1 33 14 33 1 @SUBSTRUCTURE 1 noname 1