@MOLECULE DB04633 41 40 1 SMALL USER_CHARGES @ATOM 1 N1 1.4620 0.0000 0.0000 N.3 1 noname -0.3166 2 C1 0.0000 0.0000 0.0000 C.3 1 noname -0.0036 3 C2 1.9493 -1.3784 0.0000 C.3 1 noname -0.0036 4 C3 -0.5100 1.4425 0.0000 C.3 1 noname -0.0280 5 C4 3.4793 -1.3784 0.0000 C.3 1 noname -0.0280 6 C5 -2.0400 1.4425 0.0000 C.3 1 noname -0.0036 7 C6 3.9893 -2.8209 0.0000 C.3 1 noname -0.0036 8 N2 -2.5273 2.8209 0.0000 N.3 1 noname -0.3166 9 N3 5.4513 -2.8209 0.0000 N.3 1 noname -0.3169 10 C7 -3.9893 2.8209 0.0000 C.3 1 noname -0.0051 11 C8 5.9387 -4.1993 0.0000 C.3 1 noname -0.0077 12 C9 -4.4993 4.2634 0.0000 C.3 1 noname -0.0435 13 C10 7.4687 -4.1993 0.0000 C.3 1 noname -0.0527 14 C11 -6.0293 4.2634 0.0000 C.3 1 noname -0.0642 15 H1 2.0451 0.8247 0.0000 H 1 noname 0.1222 16 H2 -0.3002 -0.4549 -0.9440 H 1 noname 0.0428 17 H3 -0.3002 -0.4549 0.9440 H 1 noname 0.0428 18 H4 1.6205 -1.8130 0.9440 H 1 noname 0.0428 19 H5 1.6205 -1.8130 -0.9440 H 1 noname 0.0428 20 H6 -0.1953 1.8875 0.9440 H 1 noname 0.0292 21 H7 -0.1953 1.8875 -0.9440 H 1 noname 0.0292 22 H8 3.7940 -0.9334 -0.9440 H 1 noname 0.0292 23 H9 3.7940 -0.9334 0.9440 H 1 noname 0.0292 24 H10 -2.3688 1.0078 -0.9440 H 1 noname 0.0428 25 H11 -2.3688 1.0078 0.9440 H 1 noname 0.0428 26 H12 3.6891 -3.2758 0.9440 H 1 noname 0.0428 27 H13 3.6891 -3.2758 -0.9440 H 1 noname 0.0428 28 H14 -1.9442 3.6455 0.0000 H 1 noname 0.1222 29 H15 6.0345 -1.9962 0.0000 H 1 noname 0.1222 30 H16 -4.2895 2.3660 -0.9440 H 1 noname 0.0427 31 H17 -4.2895 2.3660 0.9440 H 1 noname 0.0427 32 H18 5.6099 -4.6339 0.9440 H 1 noname 0.0425 33 H19 5.6099 -4.6339 -0.9440 H 1 noname 0.0425 34 H20 -4.1847 4.7084 0.9440 H 1 noname 0.0277 35 H21 -4.1847 4.7084 -0.9440 H 1 noname 0.0277 36 H22 7.8320 -4.1993 1.0277 H 1 noname 0.0243 37 H23 7.8320 -5.0893 -0.5138 H 1 noname 0.0243 38 H24 7.8320 -3.3093 -0.5138 H 1 noname 0.0243 39 H25 -6.3927 4.2634 1.0277 H 1 noname 0.0231 40 H26 -6.3927 5.1534 -0.5138 H 1 noname 0.0231 41 H27 -6.3927 3.3734 -0.5138 H 1 noname 0.0231 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 12 1 12 11 13 1 13 12 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 6 24 1 24 6 25 1 25 7 26 1 26 7 27 1 27 8 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 13 36 1 36 13 37 1 37 13 38 1 38 14 39 1 39 14 40 1 40 14 41 1 @SUBSTRUCTURE 1 noname 1