@MOLECULE 119058009 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 3.7593 1.1070 -1.7424 O.3 1 noname -0.3882 2 N1 0.1622 2.4161 0.4315 N.2 1 noname -0.2885 3 N2 1.3088 -1.4544 -0.6033 N.3 1 noname -0.1464 4 C1 3.3491 0.5593 -0.4932 C.3 1 noname 0.0824 5 C2 4.1687 1.2252 0.6471 C.3 1 noname -0.0223 6 C3 3.8330 2.7314 0.8903 C.3 1 noname -0.0449 7 C4 1.8853 0.8289 -0.2393 C.2 1 noname -0.0337 8 C5 2.4798 3.2231 0.2885 C.3 1 noname 0.0423 9 C6 1.4593 2.1439 0.1332 C.2 1 noname 0.0058 10 C7 0.9359 -0.2028 -0.3033 C.2 1 noname -0.0020 11 C8 -0.4103 0.0987 -0.0479 C.2 1 noname -0.0419 12 C9 -0.7788 1.4430 0.3368 C.2 1 noname 0.0357 13 C10 -1.3744 -0.9267 -0.1915 C.2 1 noname -0.0367 14 C11 -2.1395 1.7711 0.5869 C.2 1 noname -0.0154 15 C12 -2.7327 -0.5827 0.0615 C.2 1 noname -0.0586 16 C13 -3.1054 0.7415 0.4347 C.2 1 noname -0.0443 17 H1 3.5709 -0.5066 -0.5157 H 1 noname 0.0653 18 H2 4.0244 0.6669 1.5721 H 1 noname 0.0296 19 H3 5.2332 1.1198 0.4382 H 1 noname 0.0296 20 H4 3.8519 2.9397 1.9600 H 1 noname 0.0271 21 H5 4.6042 3.3440 0.4235 H 1 noname 0.0271 22 H6 2.0736 4.0203 0.9110 H 1 noname 0.0332 23 H7 2.7324 3.5521 -0.7195 H 1 noname 0.0332 24 H8 3.2458 0.6909 -2.4660 H 1 noname 0.2109 25 H9 -1.1077 -1.8725 -0.4647 H 1 noname 0.0630 26 H10 2.0864 -1.4300 -1.1826 H 1 noname 0.1243 27 H11 0.5817 -1.9084 -1.0571 H 1 noname 0.1243 28 H12 -2.4123 2.7135 0.8659 H 1 noname 0.0645 29 H13 -3.4539 -1.2986 -0.0261 H 1 noname 0.0622 30 H14 -4.0897 0.9546 0.5963 H 1 noname 0.0623 @BOND 1 1 4 1 2 1 24 1 3 2 9 2 4 2 12 1 5 3 10 1 6 3 26 1 7 3 27 1 8 4 5 1 9 4 7 1 10 4 17 1 11 5 6 1 12 5 18 1 13 5 19 1 14 6 8 1 15 6 20 1 16 6 21 1 17 7 9 1 18 7 10 2 19 8 9 1 20 8 22 1 21 8 23 1 22 10 11 1 23 11 12 1 24 11 13 2 25 12 14 2 26 13 15 1 27 13 25 1 28 14 16 1 29 14 28 1 30 15 16 2 31 15 29 1 32 16 30 1 @SUBSTRUCTURE 1 noname 1