60600000 -OEChem-04192411243D 46 48 0 0 0 0 0 0 0999 V2000 -1.5032 5.0654 0.3210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -1.5145 -1.8363 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 -2.6028 0.6530 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 -2.8513 -2.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 -0.9916 -2.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 1.7631 2.6421 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -0.4102 -1.7191 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 0.4590 0.7708 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 0.6784 -0.1181 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 0.9037 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1394 1.3177 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -0.4785 2.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -0.4441 2.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4054 -1.4703 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 0.7143 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 1.7768 -1.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 2.6047 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6443 -0.5039 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7266 3.0635 -1.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 3.4776 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -2.0283 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 -0.8735 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 -1.7369 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2136 -1.9896 2.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 -0.8348 1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -1.3930 2.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 -1.7577 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 0.6186 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 -0.5617 -2.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 -0.4551 3.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 -1.4089 2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4918 -0.8093 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 0.4785 2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0673 -1.2708 2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 -0.4698 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8841 1.4818 -2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 2.9890 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 3.7344 -2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 -0.4279 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7379 -2.6644 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -2.4225 2.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1325 -0.3690 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8603 -1.3622 3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 -2.7040 -1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 1.5783 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 -0.5539 -3.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 21 1 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 35 1 0 0 0 0 9 18 1 0 0 0 0 9 28 2 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 21 1 0 0 0 0 14 22 2 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 27 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END > 60600000 > 1.4 > 1 35 15 67 61 85 18 84 114 64 17 86 69 87 110 2 101 112 96 75 79 23 42 48 88 16 7 49 83 118 97 113 58 65 105 116 73 56 109 94 102 66 26 108 52 70 59 74 50 91 39 63 111 55 71 22 53 33 120 57 38 6 9 68 81 80 107 54 28 106 119 44 11 98 104 5 93 62 76 47 78 72 43 25 4 12 82 99 51 27 95 117 89 36 77 103 21 24 8 90 10 40 19 100 31 32 37 3 115 13 60 14 46 30 20 92 34 41 45 29 > 42 1 -0.18 10 0.2 11 0.12 12 0.06 13 0.14 14 -0.01 15 0.57 16 -0.15 17 -0.15 18 0.17 19 -0.15 2 1.45 20 0.18 21 0.19 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.16 29 -0.15 3 -0.19 32 0.42 35 0.37 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.65 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.65 6 -0.57 7 -0.76 8 -0.55 9 -0.62 > 8 > 9 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 donor 1 8 donor 1 9 acceptor 6 10 11 16 17 19 20 rings 6 14 21 22 24 25 26 rings 6 9 18 23 27 28 29 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 10 > 039CAEC000000001 > 68.0332 > 45.694 > 10764073 3 17198017027544380177 12156800 1 16669995289982971011 12160290 23 18191849159351659669 12422481 6 17909306544376325705 12553582 1 18339076115894639182 12633257 1 16845025532502384718 12714826 92 18272093768825495980 12788726 201 18334022682980789724 13135754 10 18190194403273665785 133893 2 17616802671158890085 14932701 244 18042138690436803068 17492 54 13408214022260459770 17974551 9 16128664092900931090 1813 80 18340208608259815225 20600515 1 17174843913387443712 21330990 113 17915761798348769987 22907989 373 18261955145956467101 23419403 2 17192387463643848647 23557571 272 18334002892320135688 35225 105 18198070166044650736 6823239 73 14421808798288289011 > 562.7 7.11 4.26 2.96 5.82 5.37 0.14 -3.61 -0.25 -4.28 0.25 0.22 -0.94 0.86 > 1188.308 > 317 > 2 5 10 $$$$