@MOLECULE FDBD01918 60 61 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5870 1.6232 -0.4237 C.3 1 UNK -0.0379 2 C1 -1.1288 0.2249 -0.0985 C.ar 1 UNK -0.0289 3 C2 -0.8770 -0.6744 -1.1162 C.ar 1 UNK -0.0503 4 C3 -0.4566 -1.9576 -0.8186 C.ar 1 UNK 0.0072 5 C4 -0.2867 -2.3451 0.4981 C.ar 1 UNK -0.0532 6 C5 -0.5362 -1.4508 1.5203 C.ar 1 UNK -0.0399 7 C6 -0.9537 -0.1592 1.2246 C.ar 1 UNK 0.0366 8 N -1.2072 0.7488 2.2572 N.am 1 UNK -0.2813 9 C7 -1.6996 0.3117 3.4332 C.2 1 UNK 0.2490 10 O -2.0029 -0.8575 3.5681 O.2 1 UNK -0.2698 11 C8 -1.8709 1.2549 4.5596 C.ar 1 UNK 0.0501 12 C9 -1.5302 2.5962 4.4078 C.ar 1 UNK -0.0488 13 C10 -1.6919 3.4743 5.4629 C.ar 1 UNK -0.0600 14 C11 -2.1919 3.0297 6.6737 C.ar 1 UNK -0.0478 15 C12 -2.5363 1.7011 6.8432 C.ar 1 UNK 0.0262 16 C13 -2.3847 0.8029 5.7892 C.ar 1 UNK 0.0619 17 C14 -2.7513 -0.6190 5.9649 C.2 1 UNK 0.2463 18 O1 -3.8812 -0.9907 5.7150 O.2 1 UNK -0.2701 19 N1 -1.8324 -1.5028 6.4021 N.am 1 UNK -0.3047 20 C15 -2.1955 -2.9114 6.5761 C.3 1 UNK 0.0485 21 C16 -3.3305 -3.0232 7.5960 C.3 1 UNK -0.0424 22 C17 -2.6554 -3.4888 5.2359 C.3 1 UNK -0.0424 23 C18 -0.9799 -3.6932 7.0781 C.3 1 UNK 0.0861 24 S -0.5253 -3.1068 8.7334 S.O2 1 UNK -0.0318 25 O2 -0.0887 -1.7584 8.6319 O.2 1 UNK -0.1745 26 O3 -1.5770 -3.4298 9.6328 O.2 1 UNK -0.1745 27 C19 0.9071 -4.1505 9.1203 C.3 1 UNK 0.0545 28 I -3.2919 1.0407 8.6822 I 1 UNK -0.0430 29 C20 -0.1833 -2.9362 -1.9316 C.3 1 UNK 0.3230 30 C21 1.0444 -2.4796 -2.7222 C.3 1 UNK 0.4362 31 F 2.1725 -2.5191 -1.8957 F 1 UNK -0.1666 32 F1 1.2376 -3.3304 -3.8159 F 1 UNK -0.1666 33 F2 0.8457 -1.1720 -3.1780 F 1 UNK -0.1666 34 C22 0.0782 -4.3224 -1.3390 C.3 1 UNK 0.4362 35 F3 -1.0120 -4.7057 -0.5505 F 1 UNK -0.1666 36 F4 0.2527 -5.2468 -2.3745 F 1 UNK -0.1666 37 F5 1.2329 -4.2821 -0.5503 F 1 UNK -0.1666 38 F6 -1.2914 -2.9948 -2.7836 F 1 UNK -0.2177 39 H -0.7190 2.2719 -0.5411 H 1 UNK 0.0278 40 H1 -2.1599 1.6114 -1.3509 H 1 UNK 0.0278 41 H2 -2.2136 1.9977 0.3858 H 1 UNK 0.0278 42 H3 -1.0091 -0.3751 -2.1454 H 1 UNK 0.0625 43 H4 0.0411 -3.3483 0.7272 H 1 UNK 0.0622 44 H5 -0.4033 -1.7540 2.5483 H 1 UNK 0.0636 45 H6 -1.0287 1.6934 2.1272 H 1 UNK 0.1551 46 H7 -1.1393 2.9506 3.4655 H 1 UNK 0.0625 47 H8 -1.4258 4.5139 5.3415 H 1 UNK 0.0618 48 H9 -2.3139 3.7243 7.4917 H 1 UNK 0.0628 49 H10 -0.9307 -1.2062 6.6015 H 1 UNK 0.1496 50 H11 -4.1965 -2.4662 7.2384 H 1 UNK 0.0251 51 H12 -3.6007 -4.0712 7.7255 H 1 UNK 0.0251 52 H13 -3.0029 -2.6119 8.5507 H 1 UNK 0.0251 53 H14 -1.8468 -3.4091 4.5093 H 1 UNK 0.0251 54 H15 -2.9256 -4.5368 5.3654 H 1 UNK 0.0251 55 H16 -3.5214 -2.9318 4.8783 H 1 UNK 0.0251 56 H17 -1.2238 -4.7546 7.1229 H 1 UNK 0.0521 57 H18 -0.1433 -3.5411 6.3962 H 1 UNK 0.0521 58 H19 1.6883 -3.9849 8.3784 H 1 UNK 0.0464 59 H20 1.2859 -3.8952 10.1100 H 1 UNK 0.0464 60 H21 0.6077 -5.1985 9.1051 H 1 UNK 0.0464 @BOND 1 1 2 1 2 1 39 1 3 1 40 1 4 1 41 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 42 1 9 4 5 ar 10 4 29 1 11 5 6 ar 12 5 43 1 13 6 7 ar 14 6 44 1 15 7 8 1 16 8 9 am 17 8 45 1 18 9 10 2 19 9 11 1 20 11 16 ar 21 11 12 ar 22 12 13 ar 23 12 46 1 24 13 14 ar 25 13 47 1 26 14 15 ar 27 14 48 1 28 15 16 ar 29 15 28 1 30 16 17 1 31 17 18 2 32 17 19 am 33 19 20 1 34 19 49 1 35 20 21 1 36 20 22 1 37 20 23 1 38 21 50 1 39 21 51 1 40 21 52 1 41 22 53 1 42 22 54 1 43 22 55 1 44 23 24 1 45 23 56 1 46 23 57 1 47 24 25 2 48 24 26 2 49 24 27 1 50 27 58 1 51 27 59 1 52 27 60 1 53 29 30 1 54 29 34 1 55 29 38 1 56 30 31 1 57 30 32 1 58 30 33 1 59 34 35 1 60 34 36 1 61 34 37 1