@MOLECULE FDBD01995 59 61 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.8615 1.2213 -0.4040 C.3 1 UNK -0.0397 2 C1 -0.1930 -0.1207 -0.2520 C.ar 1 UNK -0.0495 3 C2 0.5533 -0.6421 -1.2938 C.ar 1 UNK -0.0559 4 C3 1.1706 -1.8734 -1.1623 C.ar 1 UNK -0.0495 5 C4 1.9815 -2.4335 -2.3023 C.3 1 UNK -0.0397 6 C5 1.0458 -2.5892 0.0104 C.ar 1 UNK -0.0466 7 C6 0.2944 -2.0689 1.0653 C.ar 1 UNK 0.0389 8 C7 -0.3218 -0.8241 0.9278 C.ar 1 UNK -0.0466 9 C8 0.1559 -2.8308 2.3248 C.2 1 UNK 0.2632 10 O 0.0771 -4.0434 2.2960 O.2 1 UNK -0.2684 11 N 0.1171 -2.1808 3.5048 N.am 1 UNK -0.2108 12 C9 -0.1360 -2.9232 4.7421 C.3 1 UNK 0.0482 13 C10 0.9555 -3.9775 4.9366 C.3 1 UNK -0.0423 14 C11 -0.1283 -1.9563 5.9278 C.3 1 UNK -0.0423 15 C12 -1.4998 -3.6113 4.6541 C.3 1 UNK -0.0423 16 N1 0.3188 -0.7950 3.5482 N.am 1 UNK -0.2270 17 C13 -0.7221 0.0307 3.7747 C.2 1 UNK 0.2606 18 O1 -1.8361 -0.4270 3.9414 O.2 1 UNK -0.2686 19 C14 -0.5096 1.4906 3.8204 C.ar 1 UNK 0.0415 20 C15 0.7411 2.0284 3.5045 C.ar 1 UNK -0.0459 21 C16 0.9314 3.3894 3.5508 C.ar 1 UNK -0.0189 22 C17 -0.1162 4.2368 3.9101 C.ar 1 UNK 0.1239 23 C18 -1.3591 3.7066 4.2220 C.ar 1 UNK -0.0020 24 C19 -2.5163 4.5928 4.6084 C.3 1 UNK -0.0209 25 C20 -1.9952 5.9734 5.0150 C.3 1 UNK -0.0145 26 C21 -1.0072 6.4501 3.9427 C.3 1 UNK 0.0899 27 O2 0.1196 5.5727 3.9468 O.3 1 UNK -0.4917 28 C22 -1.5582 2.3411 4.1737 C.ar 1 UNK -0.0317 29 C23 -2.9087 1.7664 4.5158 C.3 1 UNK -0.0386 30 H -1.3900 1.4604 0.4951 H 1 UNK 0.0278 31 H1 -1.5489 1.1866 -1.2233 H 1 UNK 0.0278 32 H2 -0.1203 1.9698 -0.5918 H 1 UNK 0.0278 33 H3 0.6500 -0.1103 -2.1729 H 1 UNK 0.0623 34 H4 1.9662 -1.7463 -3.1223 H 1 UNK 0.0278 35 H5 1.5628 -3.3681 -2.6124 H 1 UNK 0.0278 36 H6 2.9912 -2.5838 -1.9817 H 1 UNK 0.0278 37 H7 1.5070 -3.5073 0.1075 H 1 UNK 0.0628 38 H8 -0.8725 -0.4308 1.7069 H 1 UNK 0.0628 39 H9 1.9092 -3.4963 4.9981 H 1 UNK 0.0251 40 H10 0.9500 -4.6537 4.1074 H 1 UNK 0.0251 41 H11 0.7706 -4.5198 5.8403 H 1 UNK 0.0251 42 H12 0.8254 -1.4751 5.9894 H 1 UNK 0.0251 43 H13 -0.3132 -2.4986 6.8315 H 1 UNK 0.0251 44 H14 -0.8917 -1.2190 5.7918 H 1 UNK 0.0251 45 H15 -1.5053 -4.2875 3.8249 H 1 UNK 0.0251 46 H16 -2.2632 -2.8740 4.5181 H 1 UNK 0.0251 47 H17 -1.6847 -4.1536 5.5578 H 1 UNK 0.0251 48 H18 1.2208 -0.4244 3.4133 H 1 UNK 0.1734 49 H19 1.5196 1.4058 3.2373 H 1 UNK 0.0626 50 H20 1.8552 3.7862 3.3182 H 1 UNK 0.0654 51 H21 -3.0410 4.1541 5.4313 H 1 UNK 0.0315 52 H22 -3.1782 4.6954 3.7740 H 1 UNK 0.0315 53 H23 -1.4992 5.9088 5.9609 H 1 UNK 0.0301 54 H24 -2.8081 6.6639 5.1004 H 1 UNK 0.0301 55 H25 -0.6892 7.4479 4.1622 H 1 UNK 0.0696 56 H26 -1.4761 6.4423 2.9809 H 1 UNK 0.0696 57 H27 -2.8764 0.7008 4.4244 H 1 UNK 0.0278 58 H28 -3.6439 2.1598 3.8453 H 1 UNK 0.0278 59 H29 -3.1646 2.0306 5.5206 H 1 UNK 0.0278 @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 am 18 17 18 2 19 17 19 1 20 19 28 ar 21 19 20 ar 22 20 21 ar 23 21 22 ar 24 22 27 1 25 22 23 ar 26 23 24 1 27 23 28 ar 28 24 25 1 29 25 26 1 30 26 27 1 31 28 29 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 16 48 1 51 20 49 1 52 21 50 1 53 24 51 1 54 24 52 1 55 25 53 1 56 25 54 1 57 26 55 1 58 26 56 1 59 29 57 1 60 29 58 1 61 29 59 1