@MOLECULE DB01953 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 5.8406 -4.4476 0.0935 N.2 1 noname -0.2628 2 C1 5.7096 -3.9866 1.3953 C.2 1 noname -0.0047 3 C2 5.1957 -4.0252 -1.0431 C.2 1 noname -0.0047 4 C3 4.7819 -2.9256 1.6123 C.2 1 noname -0.0302 5 C4 4.2731 -2.9775 -0.8558 C.2 1 noname -0.0302 6 C5 4.0697 -2.4324 0.4656 C.2 1 noname -0.0376 7 C6 3.1049 -1.3282 0.7110 C.3 1 noname 0.0121 8 C7 2.3900 -0.7914 -0.5570 C.3 1 noname 0.0164 9 C8 1.4415 0.2401 -0.3034 C.2 1 noname -0.0362 10 C9 0.1003 0.0582 -0.0446 C.2 1 noname -0.0330 11 C10 1.7528 1.5904 -0.3523 C.2 1 noname -0.1283 12 C11 -0.3824 1.3685 0.1202 C.2 1 noname -0.0901 13 C12 -0.7263 -1.1061 0.0154 C.2 1 noname -0.0401 14 N2 0.6163 2.2526 -0.0639 N.3 1 noname -0.0880 15 C13 -1.7582 1.6134 0.3796 C.2 1 noname -0.0442 16 C14 -2.1097 -0.8589 0.2405 C.2 1 noname -0.0541 17 C15 -2.6140 0.4694 0.4215 C.2 1 noname -0.0512 18 H1 6.2989 -4.4304 2.1977 H 1 noname 0.0839 19 H2 5.3989 -4.4826 -2.0114 H 1 noname 0.0839 20 H3 4.6244 -2.5109 2.6079 H 1 noname 0.0641 21 H4 3.7263 -2.5954 -1.7178 H 1 noname 0.0641 22 H5 2.3305 -1.7703 1.3378 H 1 noname 0.0319 23 H6 3.7128 -0.5080 1.0928 H 1 noname 0.0319 24 H7 3.1458 -0.3091 -1.1769 H 1 noname 0.0320 25 H8 1.7916 -1.6070 -0.9628 H 1 noname 0.0320 26 H9 2.7162 2.0482 -0.5767 H 1 noname 0.0792 27 H10 -0.3288 -2.1141 -0.1025 H 1 noname 0.0629 28 H11 0.5268 3.2564 0.0038 H 1 noname 0.1522 29 H12 -2.1364 2.6234 0.5377 H 1 noname 0.0642 30 H13 -2.7970 -1.7042 0.2749 H 1 noname 0.0622 31 H14 -3.6801 0.6138 0.5964 H 1 noname 0.0623 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 3 5 2 5 4 6 2 6 5 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 9 11 2 12 10 12 2 13 10 13 1 14 11 14 1 15 12 15 1 16 12 14 1 17 13 16 2 18 15 17 2 19 16 17 1 20 2 18 1 21 3 19 1 22 4 20 1 23 5 21 1 24 7 22 1 25 7 23 1 26 8 24 1 27 8 25 1 28 11 26 1 29 13 27 1 30 14 28 1 31 15 29 1 32 16 30 1 33 17 31 1 @SUBSTRUCTURE 1 noname 1