RDKit 3D 113114 0 0 0 0 0 0 0 0999 V2000 11.6107 0.3089 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0875 1.3029 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2477 0.6250 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0892 -0.0486 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 -0.0107 -2.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1359 -0.7707 -0.0256 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0034 -1.4289 -0.6125 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9830 -2.8902 -0.3181 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2538 -3.5371 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9367 -3.1501 1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 -0.7601 -0.1539 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8064 0.7061 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 1.4313 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 0.8330 0.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 2.7807 -0.1936 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6133 3.7197 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 3.9113 1.5342 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3661 5.0105 1.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 2.7852 2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3014 2.3859 1.8696 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 1.4312 2.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6365 0.9583 2.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 0.0449 2.8902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 1.5298 1.2268 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 1.0964 0.9148 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6171 2.2409 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3547 3.4912 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 4.5147 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2498 5.8284 0.1725 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4475 5.7276 -1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 6.6367 0.5252 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 6.8761 0.8021 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 0.5067 -0.4391 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7963 -0.7008 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0362 0.0303 -0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4269 0.3231 -2.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 -0.7619 -0.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1189 -1.2472 -0.7827 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1621 -2.7503 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1576 -3.5607 -0.5091 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0102 -4.8410 -0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0911 -5.8053 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9346 -7.0393 -0.3827 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3100 -5.3139 0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3944 -6.1641 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7964 -5.3055 -1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9386 -3.8500 -1.3067 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3004 -0.6636 -0.0809 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5779 -1.3374 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2085 -0.9402 1.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4393 0.8119 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6518 1.3416 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4769 0.8640 3.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 1.7551 3.4766 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -1.3968 -0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -2.0873 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -2.7212 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 -2.1502 1.2296 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4319 -0.7344 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7209 0.4348 -2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1634 0.4115 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 2.0910 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 1.8196 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9011 -0.1603 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8723 1.3583 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2782 -0.8148 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0742 -1.2706 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 -3.3681 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 -2.8436 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -3.6785 -1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 -4.5061 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0173 -3.6978 1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9765 -2.2194 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8086 -3.8095 1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6299 -0.9408 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0828 0.9003 -1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 1.1528 0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 3.4754 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 4.7247 -0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 4.1135 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7031 4.7337 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 0.2903 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 2.4892 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6735 1.9468 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3478 3.3390 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3514 3.8645 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4106 4.1286 0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2073 4.7039 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4993 5.4990 -1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2621 5.0193 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8154 6.7379 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 1.1785 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 -1.5803 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4741 -0.9488 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 -0.4494 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 -0.9032 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2709 -5.9632 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6883 -5.9407 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1072 -7.2343 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4863 -6.3571 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3986 -0.5866 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3227 -1.8032 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8898 -2.0812 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1029 -1.2074 1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5047 1.0103 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 1.3285 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4558 1.4342 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4249 2.3430 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9143 0.6151 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 0.0442 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 -3.3631 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -3.3612 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 -1.9408 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 6 29 32 1 0 25 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 41 46 2 0 46 47 1 0 38 48 1 0 48 49 1 0 48 50 1 1 48 51 1 0 51 52 1 0 21 53 2 0 53 54 1 0 11 55 1 0 55 56 1 0 56 57 1 0 56 58 2 0 54 19 1 0 47 39 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 6 66 1 0 7 67 1 6 8 68 1 6 9 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 10 74 1 0 11 75 1 1 12 76 1 0 12 77 1 0 16 78 1 0 16 79 1 0 17 80 1 1 18 81 1 0 25 82 1 1 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 30 89 1 0 30 90 1 0 30 91 1 0 33 92 1 6 34 93 1 0 34 94 1 0 34 95 1 0 38 96 1 6 45 97 1 0 45 98 1 0 45 99 1 0 46100 1 0 49101 1 0 49102 1 0 49103 1 0 50104 1 0 51105 1 0 51106 1 0 52107 1 0 52108 1 0 52109 1 0 53110 1 0 57111 1 0 57112 1 0 57113 1 0 M END