@MOLECULE FDBD01996 59 61 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6101 1.1194 -0.0728 C.3 1 UNK -0.0397 2 C1 -0.3958 -0.3702 0.0065 C.ar 1 UNK -0.0495 3 C2 -0.4576 -1.1386 -1.1425 C.ar 1 UNK -0.0559 4 C3 -0.2620 -2.5068 -1.0785 C.ar 1 UNK -0.0495 5 C4 -0.3306 -3.3356 -2.3353 C.3 1 UNK -0.0397 6 C5 -0.0039 -3.1139 0.1330 C.ar 1 UNK -0.0466 7 C6 0.0598 -2.3446 1.2961 C.ar 1 UNK 0.0391 8 C7 -0.1329 -0.9638 1.2237 C.ar 1 UNK -0.0466 9 C8 0.3360 -2.9882 2.5977 C.2 1 UNK 0.2664 10 O 0.3510 -4.2012 2.6852 O.2 1 UNK -0.2682 11 N 0.5712 -2.2310 3.6875 N.am 1 UNK -0.1805 12 C9 0.7048 -2.8619 5.0029 C.3 1 UNK 0.0521 13 C10 1.9440 -3.7593 5.0146 C.3 1 UNK -0.0421 14 C11 0.8484 -1.7801 6.0752 C.3 1 UNK -0.0421 15 C12 -0.5384 -3.7054 5.2926 C.3 1 UNK -0.0421 16 N1 0.6879 -0.8405 3.5624 N.2 1 UNK -0.1384 17 C13 1.8396 -0.2642 3.7527 C.2 1 UNK 0.2357 18 C14 1.9379 1.2103 3.7474 C.ar 1 UNK 0.0440 19 C15 1.1457 1.9657 4.6144 C.ar 1 UNK -0.0487 20 C16 1.2464 3.3424 4.6060 C.ar 1 UNK -0.0543 21 C17 2.1242 3.9680 3.7456 C.ar 1 UNK -0.0019 22 C18 2.4615 5.4307 3.5266 C.3 1 UNK 0.0127 23 C19 3.7869 5.3384 2.7343 C.3 1 UNK 0.1015 24 C20 4.9885 5.3946 3.6797 C.3 1 UNK -0.0275 25 O1 3.6932 4.0488 2.1059 O.3 1 UNK -0.4882 26 C21 2.9148 3.2331 2.8694 C.ar 1 UNK 0.1278 27 C22 2.8249 1.8458 2.8814 C.ar 1 UNK 0.0037 28 C23 3.6850 1.0283 1.9525 C.3 1 UNK -0.0355 29 O2 2.9498 -1.0175 3.9560 O.2 1 UNK -0.4911 30 H -0.5263 1.5444 0.9056 H 1 UNK 0.0278 31 H1 -1.5850 1.3191 -0.4660 H 1 UNK 0.0278 32 H2 0.1288 1.5524 -0.7143 H 1 UNK 0.0278 33 H3 -0.6504 -0.6892 -2.0513 H 1 UNK 0.0623 34 H4 -0.5382 -2.7001 -3.1707 H 1 UNK 0.0278 35 H5 -1.1080 -4.0646 -2.2398 H 1 UNK 0.0278 36 H6 0.6057 -3.8306 -2.4877 H 1 UNK 0.0278 37 H7 0.1418 -4.1345 0.1794 H 1 UNK 0.0628 38 H8 -0.0788 -0.3885 2.0788 H 1 UNK 0.0628 39 H9 2.8134 -3.1695 4.8120 H 1 UNK 0.0251 40 H10 1.8436 -4.5159 4.2646 H 1 UNK 0.0251 41 H11 2.0416 -4.2202 5.9753 H 1 UNK 0.0251 42 H12 1.7178 -1.1902 5.8726 H 1 UNK 0.0251 43 H13 0.9460 -2.2409 7.0359 H 1 UNK 0.0251 44 H14 -0.0182 -1.1526 6.0670 H 1 UNK 0.0251 45 H15 -0.6388 -4.4620 4.5426 H 1 UNK 0.0251 46 H16 -1.4050 -3.0779 5.2844 H 1 UNK 0.0251 47 H17 -0.4408 -4.1663 6.2533 H 1 UNK 0.0251 48 H18 0.4886 1.4974 5.2578 H 1 UNK 0.0625 49 H19 0.6633 3.9050 5.2452 H 1 UNK 0.0622 50 H20 2.5990 5.9417 4.4566 H 1 UNK 0.0350 51 H21 1.6942 5.9802 3.0224 H 1 UNK 0.0350 52 H22 3.9238 6.1408 2.0398 H 1 UNK 0.0733 53 H23 4.9096 4.6108 4.4038 H 1 UNK 0.0265 54 H24 5.0057 6.3409 4.1788 H 1 UNK 0.0265 55 H25 5.8906 5.2714 3.1176 H 1 UNK 0.0265 56 H26 3.4817 -0.0117 2.1009 H 1 UNK 0.0279 57 H27 4.7169 1.2228 2.1581 H 1 UNK 0.0279 58 H28 3.4672 1.2933 0.9390 H 1 UNK 0.0279 59 H29 2.8875 -1.9524 3.9594 H 1 UNK 0.2938 @BOND 1 1 2 1 2 2 8 ar 3 2 3 ar 4 3 4 ar 5 4 5 1 6 4 6 ar 7 6 7 ar 8 7 8 ar 9 7 9 1 10 9 10 2 11 9 11 am 12 11 12 1 13 11 16 1 14 12 13 1 15 12 14 1 16 12 15 1 17 16 17 2 18 17 18 1 19 17 29 1 20 18 27 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 21 26 ar 25 21 22 1 26 22 23 1 27 23 24 1 28 23 25 1 29 25 26 1 30 26 27 ar 31 27 28 1 32 1 30 1 33 1 31 1 34 1 32 1 35 3 33 1 36 5 34 1 37 5 35 1 38 5 36 1 39 6 37 1 40 8 38 1 41 13 39 1 42 13 40 1 43 13 41 1 44 14 42 1 45 14 43 1 46 14 44 1 47 15 45 1 48 15 46 1 49 15 47 1 50 19 48 1 51 20 49 1 52 22 50 1 53 22 51 1 54 23 52 1 55 24 53 1 56 24 54 1 57 24 55 1 58 28 56 1 59 28 57 1 60 28 58 1 61 29 59 1