@MOLECULE 71587793 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 2.5241 -2.7581 1.2770 O.3 1 noname -0.2188 2 O2 3.8622 -1.1598 0.4241 O.2 1 noname -0.2559 3 C1 2.0300 0.5032 -0.4366 C.3 1 noname -0.0346 4 C2 0.8198 1.3356 -0.8650 C.3 1 noname -0.0467 5 C3 -0.0157 1.6920 0.3662 C.3 1 noname -0.0345 6 C4 1.5508 -0.7808 0.2436 C.3 1 noname 0.0360 7 C5 2.8655 0.1469 -1.6678 C.3 1 noname -0.0620 8 C6 -1.1467 2.4700 -0.0341 C.2 1 noname -0.0839 9 C7 2.7055 -1.5751 0.6524 C.2 1 noname 0.1349 10 C8 -2.0178 2.8948 0.8768 C.2 1 noname -0.0822 11 C9 -3.1488 3.6728 0.4764 C.3 1 noname -0.0442 12 C10 -1.8232 2.5735 2.2566 C.3 1 noname -0.0442 13 H1 2.6383 1.0788 0.2612 H 1 noname 0.0305 14 H2 0.2115 0.7601 -1.5627 H 1 noname 0.0272 15 H3 1.1612 2.2504 -1.3495 H 1 noname 0.0272 16 H4 -0.3571 0.7772 0.8508 H 1 noname 0.0310 17 H5 0.5926 2.2675 1.0640 H 1 noname 0.0310 18 H6 0.9555 -0.5269 1.1208 H 1 noname 0.0375 19 H7 0.9425 -1.3563 -0.4541 H 1 noname 0.0375 20 H8 3.7276 -0.4462 -1.3626 H 1 noname 0.0233 21 H9 2.2572 -0.4287 -2.3655 H 1 noname 0.0233 22 H10 3.2069 1.0616 -2.1524 H 1 noname 0.0233 23 H11 -1.2814 2.6924 -0.9894 H 1 noname 0.0575 24 H12 -2.6776 2.0028 2.6207 H 1 noname 0.0276 25 H13 -1.7279 3.4931 2.8338 H 1 noname 0.0276 26 H14 -0.9160 1.9795 2.3669 H 1 noname 0.0276 27 H15 -4.0650 3.1534 0.7575 H 1 noname 0.0276 28 H16 -3.1283 3.8143 -0.6042 H 1 noname 0.0276 29 H17 -3.1153 4.6437 0.9707 H 1 noname 0.0276 30 H18 3.1835 -3.4751 1.1695 H 1 noname 0.2213 @BOND 1 1 9 1 2 1 30 1 3 2 9 2 4 3 4 1 5 3 6 1 6 3 7 1 7 3 13 1 8 4 5 1 9 4 14 1 10 4 15 1 11 5 8 1 12 5 16 1 13 5 17 1 14 6 9 1 15 6 18 1 16 6 19 1 17 7 20 1 18 7 21 1 19 7 22 1 20 8 10 2 21 8 23 1 22 10 11 1 23 10 12 1 24 11 27 1 25 11 28 1 26 11 29 1 27 12 24 1 28 12 25 1 29 12 26 1 @SUBSTRUCTURE 1 noname 1