@MOLECULE 73416227 30 32 1 SMALL USER_CHARGES @ATOM 1 S1 -0.1077 2.4638 0.8551 S.3 1 noname -0.1276 2 O1 1.5455 0.8868 -0.1530 O.3 1 noname -0.3588 3 N1 1.1111 -2.3463 1.1752 N.3 1 noname -0.3003 4 C1 0.4737 -0.0333 0.2653 C.3 1 noname 0.0944 5 C2 0.1831 -1.0446 -0.9366 C.3 1 noname -0.0076 6 C3 0.9451 -0.8894 1.5180 C.3 1 noname 0.0286 7 C4 -0.8392 -2.1767 -0.5117 C.3 1 noname -0.0347 8 C5 1.5388 -1.7701 -1.3069 C.3 1 noname -0.0347 9 C6 -0.2623 -2.8682 0.7964 C.3 1 noname -0.0013 10 C7 2.0744 -2.4821 0.0120 C.3 1 noname -0.0013 11 C8 -0.7904 0.7858 0.6467 C.3 1 noname 0.0267 12 C9 1.6518 2.1157 0.5710 C.3 1 noname 0.1010 13 C10 2.3840 2.0365 1.9186 C.3 1 noname -0.0291 14 H1 -0.1783 -0.5253 -1.8242 H 1 noname 0.0334 15 H2 0.2176 -0.7862 2.3231 H 1 noname 0.0460 16 H3 1.8993 -0.4635 1.8282 H 1 noname 0.0460 17 H4 -1.8069 -1.7273 -0.2885 H 1 noname 0.0283 18 H5 -0.9326 -2.8812 -1.3382 H 1 noname 0.0283 19 H6 1.3511 -2.5209 -2.0745 H 1 noname 0.0283 20 H7 2.2955 -1.0665 -1.6538 H 1 noname 0.0283 21 H8 -0.9523 -2.7104 1.6253 H 1 noname 0.0430 22 H9 -0.2066 -3.9322 0.5663 H 1 noname 0.0430 23 H10 2.2515 -3.5382 -0.1916 H 1 noname 0.0430 24 H11 3.0018 -1.9955 0.3141 H 1 noname 0.0430 25 H12 -1.4923 0.7801 -0.1872 H 1 noname 0.0411 26 H13 -1.2323 0.3756 1.5548 H 1 noname 0.0411 27 H14 2.1339 2.8798 -0.0419 H 1 noname 0.0719 28 H15 3.4399 1.8275 1.7467 H 1 noname 0.0265 29 H16 1.9494 1.2395 2.5219 H 1 noname 0.0265 30 H17 2.2824 2.9863 2.4436 H 1 noname 0.0265 @BOND 1 1 11 1 2 1 12 1 3 4 2 1 4 2 12 1 5 3 6 1 6 3 9 1 7 3 10 1 8 4 5 1 9 4 6 1 10 4 11 1 11 5 7 1 12 5 8 1 13 5 14 1 14 6 15 1 15 6 16 1 16 7 9 1 17 7 17 1 18 7 18 1 19 8 10 1 20 8 19 1 21 8 20 1 22 9 21 1 23 9 22 1 24 10 23 1 25 10 24 1 26 11 25 1 27 11 26 1 28 12 13 1 29 12 27 1 30 13 28 1 31 13 29 1 32 13 30 1 @SUBSTRUCTURE 1 noname 1