@MOLECULE 66584128 42 43 1 SMALL USER_CHARGES @ATOM 1 O1 -1.5631 -1.4434 0.8258 O.3 1 noname -0.2045 2 O2 -0.3985 -1.8801 -1.1810 O.2 1 noname -0.2582 3 N1 -4.1289 -2.2250 1.7205 N.3 1 noname -0.3113 4 C1 -4.9989 -2.3331 2.9257 C.3 1 noname 0.0069 5 C2 -6.4546 -1.8142 2.6010 C.3 1 noname -0.0377 6 C3 -4.3281 -1.7199 4.2336 C.3 1 noname -0.0377 7 C4 -7.1687 -0.9274 3.6468 C.3 1 noname -0.0518 8 C5 -4.6928 -0.2474 4.4933 C.3 1 noname -0.0518 9 C6 -6.2356 -0.0053 4.5115 C.3 1 noname -0.0532 10 C7 -2.9615 -3.1129 1.8616 C.3 1 noname 0.0222 11 C8 -1.8836 -2.8568 0.8417 C.3 1 noname 0.0773 12 C9 -0.7484 -3.7808 1.3433 C.3 1 noname -0.0368 13 C10 -0.7508 -1.0645 -0.3017 C.2 1 noname 0.0881 14 C11 -0.3693 0.3474 -0.3397 C.2 1 noname -0.0033 15 C12 -0.3616 1.2042 0.8172 C.2 1 noname -0.0060 16 C13 -0.0013 0.8241 -1.6434 C.2 1 noname -0.0060 17 C14 0.0056 2.5777 0.6557 C.2 1 noname -0.0428 18 C15 0.3636 2.1969 -1.8023 C.2 1 noname -0.0428 19 C16 0.3569 3.0527 -0.6495 C.2 1 noname -0.0355 20 H1 -5.0467 -3.3954 3.1650 H 1 noname 0.0464 21 H2 -7.0931 -2.6597 2.3450 H 1 noname 0.0282 22 H3 -6.3263 -1.1653 1.7346 H 1 noname 0.0282 23 H4 -4.6048 -2.3210 5.0998 H 1 noname 0.0282 24 H5 -3.2447 -1.8231 4.1719 H 1 noname 0.0282 25 H6 -7.9238 -0.3174 3.1510 H 1 noname 0.0267 26 H7 -7.6287 -1.6201 4.3515 H 1 noname 0.0267 27 H8 -4.2638 0.0710 5.4434 H 1 noname 0.0267 28 H9 -4.2959 0.3258 3.6555 H 1 noname 0.0267 29 H10 -6.5896 0.0052 5.5424 H 1 noname 0.0266 30 H11 -6.3535 1.0126 4.1400 H 1 noname 0.0266 31 H12 -4.6619 -2.4924 0.8905 H 1 noname 0.1225 32 H13 -3.2849 -4.1517 1.7953 H 1 noname 0.0455 33 H14 -2.5444 -2.9168 2.8493 H 1 noname 0.0455 34 H15 -2.3209 -3.2049 -0.1035 H 1 noname 0.0620 35 H16 -1.0854 -4.8171 1.3177 H 1 noname 0.0257 36 H17 -0.4842 -3.5098 2.3655 H 1 noname 0.0257 37 H18 0.1241 -3.6665 0.7000 H 1 noname 0.0257 38 H19 -0.6134 0.8387 1.7356 H 1 noname 0.0631 39 H20 -0.0004 0.1923 -2.4442 H 1 noname 0.0631 40 H21 0.0170 3.2086 1.4571 H 1 noname 0.0622 41 H22 0.6241 2.5621 -2.7184 H 1 noname 0.0622 42 H23 0.6115 4.0338 -0.7638 H 1 noname 0.0622 @BOND 1 11 1 1 2 1 13 1 3 2 13 2 4 3 4 1 5 3 10 1 6 3 31 1 7 4 5 1 8 4 6 1 9 4 20 1 10 5 7 1 11 5 21 1 12 5 22 1 13 6 8 1 14 6 23 1 15 6 24 1 16 7 9 1 17 7 25 1 18 7 26 1 19 8 9 1 20 8 27 1 21 8 28 1 22 9 29 1 23 9 30 1 24 10 11 1 25 10 32 1 26 10 33 1 27 11 12 1 28 11 34 1 29 12 35 1 30 12 36 1 31 12 37 1 32 13 14 1 33 14 15 2 34 14 16 1 35 15 17 1 36 15 38 1 37 16 18 2 38 16 39 1 39 17 19 2 40 17 40 1 41 18 19 1 42 18 41 1 43 19 42 1 @SUBSTRUCTURE 1 noname 1