@MOLECULE 69504317 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.8263 -0.8634 2.8054 O.3 1 noname -0.2188 2 O2 0.2432 -1.5683 2.2640 O.2 1 noname -0.2558 3 N1 1.1285 0.0511 -3.8349 N.3 1 noname -0.3304 4 C1 0.2801 -0.8575 -0.2573 C.3 1 noname -0.0192 5 C2 1.4702 -0.1028 0.4302 C.3 1 noname -0.0470 6 C3 0.3554 -2.4236 -0.3267 C.3 1 noname -0.0470 7 C4 0.0634 -0.2945 -1.6634 C.3 1 noname -0.0347 8 C5 2.3019 -0.9633 1.4280 C.3 1 noname -0.0527 9 C6 1.7941 -3.0141 -0.2022 C.3 1 noname -0.0527 10 C7 2.6798 -2.3984 0.9300 C.3 1 noname -0.0532 11 C8 -0.9914 -0.5581 0.5394 C.3 1 noname 0.0392 12 C9 1.3355 -0.4869 -2.4914 C.3 1 noname -0.0071 13 C10 -0.8255 -1.0228 1.9135 C.2 1 noname 0.1351 14 H1 1.0922 0.7825 0.9414 H 1 noname 0.0272 15 H2 2.1554 0.1679 -0.3731 H 1 noname 0.0272 16 H3 -0.2816 -2.8526 0.4468 H 1 noname 0.0272 17 H4 -0.0959 -2.7657 -1.2580 H 1 noname 0.0272 18 H5 -0.7640 -0.8191 -2.1412 H 1 noname 0.0285 19 H6 -0.1699 0.7681 -1.5973 H 1 noname 0.0285 20 H7 1.7694 -1.0363 2.3762 H 1 noname 0.0267 21 H8 3.2140 -0.4254 1.6861 H 1 noname 0.0267 22 H9 1.7332 -4.0942 -0.0691 H 1 noname 0.0267 23 H10 2.2960 -2.7633 -1.1367 H 1 noname 0.0267 24 H11 2.7105 -3.0812 1.7791 H 1 noname 0.0266 25 H12 3.6874 -2.3610 0.5160 H 1 noname 0.0266 26 H13 -1.8365 -1.0721 0.0815 H 1 noname 0.0378 27 H14 -1.1759 0.5162 0.5389 H 1 noname 0.0378 28 H15 1.5688 -1.5496 -2.5574 H 1 noname 0.0425 29 H16 2.1629 0.0377 -2.0135 H 1 noname 0.0425 30 H17 1.9782 -0.0774 -4.3880 H 1 noname 0.1184 31 H18 0.3527 -0.4408 -4.2830 H 1 noname 0.1184 32 H19 -1.6210 -0.7472 3.7566 H 1 noname 0.2213 @BOND 1 1 13 1 2 1 32 1 3 2 13 2 4 3 12 1 5 3 30 1 6 3 31 1 7 4 5 1 8 4 6 1 9 4 7 1 10 4 11 1 11 5 8 1 12 5 14 1 13 5 15 1 14 6 9 1 15 6 16 1 16 6 17 1 17 7 12 1 18 7 18 1 19 7 19 1 20 8 10 1 21 8 20 1 22 8 21 1 23 9 10 1 24 9 22 1 25 9 23 1 26 10 24 1 27 10 25 1 28 11 13 1 29 11 26 1 30 11 27 1 31 12 28 1 32 12 29 1 @SUBSTRUCTURE 1 noname 1