@MOLECULE 60196330 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 -2.7025 -1.9886 0.6680 N.3 1 noname -0.3141 2 C1 -1.7303 -0.9506 1.0069 C.3 1 noname 0.0080 3 C2 -1.7790 0.1574 -0.0471 C.3 1 noname 0.0146 4 C3 -0.8081 1.1939 0.2913 C.2 1 noname -0.0568 5 C4 -0.3268 -1.5587 1.0431 C.3 1 noname -0.0494 6 C5 -4.0437 -1.4076 0.6334 C.3 1 noname -0.0074 7 C6 0.4928 1.1119 -0.1914 C.2 1 noname -0.0634 8 C7 -1.1847 2.2628 1.0961 C.2 1 noname -0.0634 9 C8 -5.0611 -2.4938 0.2788 C.3 1 noname -0.0527 10 C9 1.4172 2.0987 0.1308 C.2 1 noname -0.0629 11 C10 -0.2604 3.2497 1.4183 C.2 1 noname -0.0629 12 C11 1.0406 3.1677 0.9356 C.2 1 noname -0.0682 13 H1 -1.9707 -0.5329 1.9845 H 1 noname 0.0465 14 H2 -2.7789 0.5906 -0.0729 H 1 noname 0.0332 15 H3 -1.5387 -0.2604 -1.0248 H 1 noname 0.0332 16 H4 -2.6700 -2.7288 1.3720 H 1 noname 0.1224 17 H5 0.3980 -0.7849 1.2957 H 1 noname 0.0246 18 H6 -0.2921 -2.3481 1.7940 H 1 noname 0.0246 19 H7 -0.0865 -1.9764 0.0654 H 1 noname 0.0246 20 H8 -4.2840 -0.9899 1.6111 H 1 noname 0.0425 21 H9 -4.0784 -0.6182 -0.1175 H 1 noname 0.0425 22 H10 0.7692 0.3275 -0.7819 H 1 noname 0.0625 23 H11 -2.1393 2.3230 1.4503 H 1 noname 0.0625 24 H12 -6.0610 -2.0606 0.2530 H 1 noname 0.0243 25 H13 -5.0264 -3.2832 1.0296 H 1 noname 0.0243 26 H14 -4.8208 -2.9115 -0.6989 H 1 noname 0.0243 27 H15 2.3718 2.0385 -0.2234 H 1 noname 0.0622 28 H16 -0.5367 4.0341 2.0089 H 1 noname 0.0622 29 H17 1.7189 3.8918 1.1720 H 1 noname 0.0622 @BOND 1 2 1 1 2 1 6 1 3 1 16 1 4 2 3 1 5 2 5 1 6 2 13 1 7 3 4 1 8 3 14 1 9 3 15 1 10 4 7 2 11 4 8 1 12 5 17 1 13 5 18 1 14 5 19 1 15 6 9 1 16 6 20 1 17 6 21 1 18 7 10 1 19 7 22 1 20 8 11 2 21 8 23 1 22 9 24 1 23 9 25 1 24 9 26 1 25 10 12 2 26 10 27 1 27 11 12 1 28 11 28 1 29 12 29 1 @SUBSTRUCTURE 1 noname 1