@MOLECULE 71316539 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 -2.3875 -1.6906 -0.6112 O.2 1 noname -0.2699 2 N1 -2.9577 1.1856 -1.2244 N.3 1 noname -0.3068 3 N2 -0.4954 -1.1170 0.3424 N.3 1 noname -0.1368 4 C1 -1.6773 0.4431 -1.4167 C.3 1 noname 0.0788 5 C2 -1.5206 -0.7857 -0.5367 C.2 1 noname 0.1376 6 C3 -1.7941 0.0134 -2.9167 C.3 1 noname -0.0412 7 C4 -3.0246 2.2433 -0.2058 C.3 1 noname -0.0069 8 C5 0.5315 -0.3651 0.8547 C.2 1 noname -0.0296 9 C6 1.7852 -0.9402 1.2503 C.2 1 noname -0.0344 10 C7 -4.4274 2.8539 -0.1960 C.3 1 noname -0.0526 11 C8 0.3324 1.0263 1.0425 C.2 1 noname -0.0387 12 C9 2.8355 -0.0837 1.6836 C.2 1 noname -0.0606 13 C10 2.0706 -2.3963 1.1795 C.3 1 noname 0.0053 14 C11 1.3953 1.8644 1.4018 C.2 1 noname -0.0642 15 C12 2.6510 1.3171 1.6952 C.2 1 noname -0.0641 16 H1 -0.7864 1.0922 -1.3721 H 1 noname 0.0559 17 H2 -3.7184 0.5197 -1.0746 H 1 noname 0.1229 18 H3 -0.9068 -0.5513 -3.2031 H 1 noname 0.0251 19 H4 -2.6792 -0.6090 -3.0485 H 1 noname 0.0251 20 H5 -1.8777 0.9012 -3.5436 H 1 noname 0.0251 21 H6 -2.8064 1.8184 0.7740 H 1 noname 0.0425 22 H7 -2.2930 3.0174 -0.4373 H 1 noname 0.0425 23 H8 -0.4861 -2.0487 0.6440 H 1 noname 0.1371 24 H9 -4.4770 3.6382 0.5593 H 1 noname 0.0243 25 H10 -5.1590 2.0797 0.0354 H 1 noname 0.0243 26 H11 -4.6456 3.2787 -1.1758 H 1 noname 0.0243 27 H12 -0.5778 1.4418 0.9071 H 1 noname 0.0639 28 H13 3.7595 -0.4432 1.9521 H 1 noname 0.0625 29 H14 1.3607 -2.9366 1.8059 H 1 noname 0.0280 30 H15 1.9762 -2.7354 0.1479 H 1 noname 0.0280 31 H16 3.0842 -2.5855 1.5328 H 1 noname 0.0280 32 H17 1.2464 2.8782 1.4464 H 1 noname 0.0623 33 H18 3.4425 1.9170 1.9145 H 1 noname 0.0622 @BOND 1 1 5 2 2 2 4 1 3 2 7 1 4 2 17 1 5 3 5 1 6 3 8 1 7 3 23 1 8 4 5 1 9 4 6 1 10 4 16 1 11 6 18 1 12 6 19 1 13 6 20 1 14 7 10 1 15 7 21 1 16 7 22 1 17 8 9 1 18 8 11 2 19 9 12 2 20 9 13 1 21 10 24 1 22 10 25 1 23 10 26 1 24 11 14 1 25 11 27 1 26 12 15 1 27 12 28 1 28 13 29 1 29 13 30 1 30 13 31 1 31 14 15 2 32 14 32 1 33 15 33 1 @SUBSTRUCTURE 1 noname 1