@MOLECULE DB07580 58 60 1 SMALL USER_CHARGES @ATOM 1 O1 7.0223 -7.0598 -2.4960 O.2 1 noname -0.2513 2 C1 5.9533 -7.5593 -2.9085 C.2 1 noname 0.0537 3 O2 5.7141 -8.0407 -4.2402 O.3 1 noname -0.1943 4 N1 4.7412 -7.7497 -2.1154 N.3 1 noname -0.0262 5 C2 6.8563 -7.9082 -5.0842 C.3 1 noname 0.1155 6 C3 4.1217 -6.5651 -1.4453 C.3 1 noname 0.0215 7 C4 4.1666 -9.1287 -2.0188 C.3 1 noname 0.0215 8 C5 6.9290 -6.4676 -5.6861 C.3 1 noname 0.0799 9 C6 6.6921 -8.9644 -6.1971 C.3 1 noname 0.0799 10 C7 2.5999 -6.5503 -1.7344 C.3 1 noname 0.0215 11 C8 2.6754 -9.0338 -2.4059 C.3 1 noname 0.0215 12 O3 7.2577 -6.4234 -7.0998 O.3 1 noname -0.3390 13 O4 5.8928 -8.4664 -7.3140 O.3 1 noname -0.3390 14 N2 2.1617 -7.9521 -1.5072 N.3 1 noname -0.0262 15 C9 6.4492 -7.2788 -7.9425 C.3 1 noname 0.2539 16 C10 0.8183 -8.0635 -1.0143 C.2 1 noname 0.0537 17 C11 5.2619 -6.4745 -8.5475 C.2 1 noname 0.1661 18 C12 7.3042 -7.6679 -9.1603 C.3 1 noname 0.0000 19 O5 -0.0992 -7.2273 -1.1611 O.2 1 noname -0.2513 20 O6 0.7276 -9.3200 -0.3191 O.3 1 noname -0.1943 21 O7 4.4244 -5.9339 -7.7933 O.2 1 noname -0.2336 22 O8 5.1365 -6.3607 -9.8869 O.3 1 noname -0.2015 23 C13 -0.5704 -9.5648 0.2330 C.3 1 noname 0.1155 24 C14 -0.4939 -10.8664 1.0919 C.3 1 noname 0.0799 25 C15 -1.7045 -9.7130 -0.8371 C.3 1 noname 0.0799 26 O9 -1.6739 -11.7289 1.0191 O.3 1 noname -0.3390 27 O10 -1.7429 -11.0467 -1.3881 O.3 1 noname -0.3390 28 C16 -2.1230 -12.0180 -0.3562 C.3 1 noname 0.2539 29 C17 -1.6660 -13.3481 -0.7479 C.2 1 noname 0.1661 30 C18 -3.6503 -12.0700 -0.2810 C.3 1 noname 0.0000 31 O11 -0.4435 -13.6081 -0.7686 O.2 1 noname -0.2336 32 O12 -2.5638 -14.2973 -1.0878 O.3 1 noname -0.2015 33 H1 7.7347 -8.0874 -4.4642 H 1 noname 0.0659 34 H2 4.2487 -6.7209 -0.3740 H 1 noname 0.0450 35 H3 4.5531 -5.6855 -1.9231 H 1 noname 0.0450 36 H4 4.6683 -9.7314 -2.7758 H 1 noname 0.0450 37 H5 4.2193 -9.4177 -0.9691 H 1 noname 0.0450 38 H6 5.9255 -6.0457 -5.6305 H 1 noname 0.0596 39 H7 7.7618 -5.9588 -5.2007 H 1 noname 0.0596 40 H8 7.6819 -9.1499 -6.6142 H 1 noname 0.0596 41 H9 6.1146 -9.7880 -5.7772 H 1 noname 0.0596 42 H10 2.1116 -5.9343 -0.9793 H 1 noname 0.0450 43 H11 2.4522 -6.3346 -2.7926 H 1 noname 0.0450 44 H12 2.6053 -8.6727 -3.4319 H 1 noname 0.0450 45 H13 2.1826 -9.9631 -2.1203 H 1 noname 0.0450 46 H14 7.3568 -8.7541 -9.2352 H 1 noname 0.0291 47 H15 6.8525 -7.2628 -10.0658 H 1 noname 0.0291 48 H16 8.3093 -7.2628 -9.0431 H 1 noname 0.0291 49 H17 5.0997 -7.2356 -10.2803 H 1 noname 0.2215 50 H18 -0.7517 -8.6569 0.8082 H 1 noname 0.0659 51 H19 0.3089 -11.4735 0.6735 H 1 noname 0.0596 52 H20 -0.4536 -10.5538 2.1353 H 1 noname 0.0596 53 H21 -2.6607 -9.5940 -0.3276 H 1 noname 0.0596 54 H22 -1.4526 -9.0700 -1.6804 H 1 noname 0.0596 55 H23 -3.9624 -12.0806 0.7633 H 1 noname 0.0291 56 H24 -4.0685 -11.1937 -0.7763 H 1 noname 0.0291 57 H25 -4.0079 -12.9727 -0.7763 H 1 noname 0.0291 58 H26 -2.9332 -14.6879 -0.2925 H 1 noname 0.2215 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 5 3 1 5 4 6 1 6 4 7 1 7 5 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 8 12 1 12 9 13 1 13 10 14 1 14 11 14 1 15 12 15 1 16 13 15 1 17 14 16 1 18 15 17 1 19 15 18 1 20 16 19 2 21 16 20 1 22 17 21 2 23 17 22 1 24 23 20 1 25 23 24 1 26 23 25 1 27 24 26 1 28 25 27 1 29 26 28 1 30 27 28 1 31 28 29 1 32 28 30 1 33 29 31 2 34 29 32 1 35 5 33 1 36 6 34 1 37 6 35 1 38 7 36 1 39 7 37 1 40 8 38 1 41 8 39 1 42 9 40 1 43 9 41 1 44 10 42 1 45 10 43 1 46 11 44 1 47 11 45 1 48 18 46 1 49 18 47 1 50 18 48 1 51 22 49 1 52 23 50 1 53 24 51 1 54 24 52 1 55 25 53 1 56 25 54 1 57 30 55 1 58 30 56 1 59 30 57 1 60 32 58 1 @SUBSTRUCTURE 1 noname 1