@MOLECULE FDBD00344 76 80 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -10.0105 0.9276 1.3499 Cl 1 UNK -0.0835 2 S 2.3846 2.2472 -0.8625 S.3 1 UNK -0.1521 3 O 6.0813 3.9763 -2.2895 O.co2 1 UNK -0.5498 4 O1 6.0171 4.4947 -0.0743 O.co2 1 UNK -0.5498 5 O2 4.1012 -3.0962 1.9972 O.3 1 UNK -0.3845 6 N -5.1059 0.2032 0.2693 N.ar 1 UNK -0.2472 7 C 3.1426 4.7991 -0.3249 C.3 1 UNK -0.0151 8 C1 3.0018 5.9912 0.5756 C.3 1 UNK -0.0458 9 C2 1.8864 5.6191 -0.3567 C.3 1 UNK -0.0458 10 C3 3.0758 3.4440 0.2953 C.3 1 UNK 0.0002 11 C4 4.0731 4.9052 -1.4818 C.3 1 UNK -0.0068 12 C5 5.4776 4.4508 -1.1698 C.2 1 UNK 0.0423 13 C6 2.4715 0.7704 0.2442 C.3 1 UNK 0.0305 14 C7 2.6365 -0.4976 -0.6418 C.3 1 UNK -0.0331 15 C8 1.3284 0.7653 1.2021 C.ar 1 UNK -0.0339 16 C9 2.9835 -1.7729 0.1488 C.3 1 UNK -0.0260 17 C10 0.0240 0.6172 0.7306 C.ar 1 UNK -0.0504 18 C11 1.5637 0.9089 2.5695 C.ar 1 UNK -0.0575 19 C12 3.2839 -2.9910 -0.6862 C.ar 1 UNK -0.0414 20 C13 3.6119 -4.2078 -0.0884 C.ar 1 UNK -0.0135 21 C14 -1.0451 0.6129 1.6266 C.ar 1 UNK -0.0247 22 C15 0.4947 0.9044 3.4654 C.ar 1 UNK -0.0609 23 C16 3.6762 -4.3411 1.3978 C.3 1 UNK 0.0856 24 C17 3.2303 -2.8890 -2.0764 C.ar 1 UNK -0.0582 25 C18 -0.8097 0.7564 2.9939 C.ar 1 UNK -0.0546 26 C19 3.8866 -5.3224 -0.8807 C.ar 1 UNK -0.0556 27 C20 3.5048 -4.0037 -2.8687 C.ar 1 UNK -0.0615 28 C21 -2.4235 0.4572 1.1293 C.2 1 UNK -0.0526 29 C22 4.6877 -5.3953 1.9132 C.3 1 UNK -0.0321 30 C23 2.2812 -4.6616 1.9780 C.3 1 UNK -0.0321 31 C24 3.8329 -5.2204 -2.2707 C.ar 1 UNK -0.0614 32 C25 -2.7655 -0.0611 -0.0740 C.2 1 UNK -0.0357 33 C26 -4.1269 -0.2322 -0.5565 C.ar 1 UNK 0.0646 34 C27 -4.3541 -0.8100 -1.7891 C.ar 1 UNK -0.0357 35 C28 -6.3840 0.0669 -0.1313 C.ar 1 UNK 0.0730 36 C29 -5.6720 -0.9491 -2.1992 C.ar 1 UNK -0.0506 37 C30 -6.7169 -0.5113 -1.3743 C.ar 1 UNK 0.0005 38 C31 -7.4224 0.5016 0.6878 C.ar 1 UNK -0.0174 39 C32 -8.0621 -0.6380 -1.7604 C.ar 1 UNK -0.0512 40 C33 -8.7599 0.3757 0.3041 C.ar 1 UNK 0.0430 41 C34 -9.0806 -0.1949 -0.9214 C.ar 1 UNK -0.0427 42 H 4.9779 -2.8568 1.6582 H 1 UNK 0.2106 43 H1 3.5813 6.8718 0.3920 H 1 UNK 0.0271 44 H2 3.0835 6.1572 1.6295 H 1 UNK 0.0271 45 H3 0.9749 5.2168 0.0333 H 1 UNK 0.0271 46 H4 1.3351 6.1295 -1.1186 H 1 UNK 0.0271 47 H5 4.0622 3.1355 0.5725 H 1 UNK 0.0382 48 H6 2.4455 3.4913 1.1587 H 1 UNK 0.0382 49 H7 4.1098 5.9280 -1.7939 H 1 UNK 0.0330 50 H8 3.6969 4.2597 -2.2478 H 1 UNK 0.0330 51 H9 3.3298 0.7937 0.8827 H 1 UNK 0.0461 52 H10 3.4200 -0.3155 -1.3474 H 1 UNK 0.0282 53 H11 1.6913 -0.6722 -1.1119 H 1 UNK 0.0282 54 H12 2.1531 -2.0042 0.7828 H 1 UNK 0.0314 55 H13 3.8844 -1.5524 0.6823 H 1 UNK 0.0314 56 H14 -0.1501 0.5108 -0.2810 H 1 UNK 0.0626 57 H15 2.5288 1.0185 2.9183 H 1 UNK 0.0621 58 H16 0.6688 1.0106 4.4771 H 1 UNK 0.0618 59 H17 2.9875 -1.9888 -2.5187 H 1 UNK 0.0620 60 H18 -1.6007 0.7531 3.6568 H 1 UNK 0.0623 61 H19 4.1296 -6.2226 -0.4384 H 1 UNK 0.0621 62 H20 3.4651 -3.9282 -3.8972 H 1 UNK 0.0618 63 H21 -3.1892 0.7680 1.7474 H 1 UNK 0.0624 64 H22 5.6583 -5.1820 1.5166 H 1 UNK 0.0260 65 H23 4.3794 -6.3699 1.5969 H 1 UNK 0.0260 66 H24 4.7240 -5.3621 2.9821 H 1 UNK 0.0260 67 H25 1.5745 -3.9386 1.6277 H 1 UNK 0.0260 68 H26 2.3236 -4.6302 3.0467 H 1 UNK 0.0260 69 H27 1.9790 -5.6380 1.6615 H 1 UNK 0.0260 70 H28 4.0359 -6.0452 -2.8568 H 1 UNK 0.0618 71 H29 -1.9994 -0.3583 -0.6983 H 1 UNK 0.0639 72 H30 -3.5724 -1.1269 -2.3837 H 1 UNK 0.0639 73 H31 -5.8836 -1.3763 -3.1145 H 1 UNK 0.0625 74 H32 -7.1987 0.9273 1.6009 H 1 UNK 0.0653 75 H33 -8.2963 -1.0622 -2.6716 H 1 UNK 0.0625 76 H34 -10.0675 -0.2896 -1.2078 H 1 UNK 0.0632 @BOND 1 1 40 1 2 2 10 1 3 2 13 1 4 3 12 ar 5 4 12 ar 6 5 23 1 7 6 33 ar 8 6 35 ar 9 7 8 1 10 7 9 1 11 7 10 1 12 7 11 1 13 8 9 1 14 11 12 1 15 13 14 1 16 13 15 1 17 14 16 1 18 15 17 ar 19 15 18 ar 20 16 19 1 21 17 21 ar 22 18 22 ar 23 19 20 ar 24 19 24 ar 25 20 23 1 26 20 26 ar 27 21 25 ar 28 21 28 1 29 22 25 ar 30 23 29 1 31 23 30 1 32 24 27 ar 33 26 31 ar 34 27 31 ar 35 28 32 2 36 32 33 1 37 33 34 ar 38 34 36 ar 39 35 37 ar 40 35 38 ar 41 36 37 ar 42 37 39 ar 43 38 40 ar 44 39 41 ar 45 40 41 ar 46 5 42 1 47 8 43 1 48 8 44 1 49 9 45 1 50 9 46 1 51 10 47 1 52 10 48 1 53 11 49 1 54 11 50 1 55 13 51 1 56 14 52 1 57 14 53 1 58 16 54 1 59 16 55 1 60 17 56 1 61 18 57 1 62 22 58 1 63 24 59 1 64 25 60 1 65 26 61 1 66 27 62 1 67 28 63 1 68 29 64 1 69 29 65 1 70 29 66 1 71 30 67 1 72 30 68 1 73 30 69 1 74 31 70 1 75 32 71 1 76 34 72 1 77 36 73 1 78 38 74 1 79 39 75 1 80 41 76 1