@MOLECULE 71587013 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.5917 2.2394 -2.5452 O.3 1 noname -0.2170 2 O2 0.3328 -2.7522 -2.6686 O.3 1 noname -0.2179 3 O3 -1.0512 0.8538 -2.0720 O.2 1 noname -0.2535 4 O4 -1.3641 -1.6782 -1.7204 O.2 1 noname -0.2546 5 C1 0.2396 -0.3582 0.2935 C.3 1 noname -0.0085 6 C2 0.7751 0.8993 -0.4359 C.3 1 noname 0.0592 7 C3 0.7449 -1.5598 -0.5387 C.3 1 noname 0.0511 8 C4 2.2236 0.4337 -0.6884 C.3 1 noname -0.0371 9 C5 2.1572 -1.0860 -0.9482 C.3 1 noname -0.0395 10 C6 0.8371 -0.4249 1.7004 C.3 1 noname -0.0581 11 C7 -1.2829 -0.3464 0.4445 C.3 1 noname -0.0581 12 C8 0.7649 2.0786 0.5495 C.3 1 noname -0.0497 13 C9 0.0549 1.3147 -1.6992 C.2 1 noname 0.1382 14 C10 -0.1513 -1.9629 -1.6719 C.2 1 noname 0.1367 15 H1 0.8411 -2.4388 0.0947 H 1 noname 0.0414 16 H2 2.6182 0.9364 -1.5714 H 1 noname 0.0278 17 H3 2.8089 0.6083 0.2144 H 1 noname 0.0278 18 H4 2.3120 -1.2802 -2.0096 H 1 noname 0.0275 19 H5 2.9367 -1.5687 -0.3588 H 1 noname 0.0275 20 H6 0.4603 -1.3096 2.2137 H 1 noname 0.0236 21 H7 0.5532 0.4674 2.2584 H 1 noname 0.0236 22 H8 -1.6037 -1.2504 0.9622 H 1 noname 0.0236 23 H9 1.9235 -0.4799 1.6315 H 1 noname 0.0236 24 H10 -1.7455 -0.3090 -0.5418 H 1 noname 0.0236 25 H11 -1.5842 0.5285 1.0205 H 1 noname 0.0236 26 H12 1.1396 2.9723 0.0504 H 1 noname 0.0241 27 H13 -0.2540 2.2552 0.8943 H 1 noname 0.0241 28 H14 1.4018 1.8448 1.4026 H 1 noname 0.0241 29 H15 0.0045 2.8099 -3.0839 H 1 noname 0.2213 30 H16 -0.0715 -2.7182 -3.5607 H 1 noname 0.2213 @BOND 1 1 13 1 2 1 29 1 3 2 14 1 4 2 30 1 5 3 13 2 6 4 14 2 7 5 6 1 8 5 7 1 9 5 10 1 10 5 11 1 11 6 8 1 12 6 12 1 13 6 13 1 14 7 9 1 15 7 14 1 16 7 15 1 17 8 9 1 18 8 16 1 19 8 17 1 20 9 18 1 21 9 19 1 22 10 20 1 23 10 21 1 24 10 23 1 25 11 22 1 26 11 24 1 27 11 25 1 28 12 26 1 29 12 27 1 30 12 28 1 @SUBSTRUCTURE 1 noname 1