RDKit 3D 113114 0 0 0 0 0 0 0 0999 V2000 12.9934 -0.6063 -1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5731 -0.3453 -2.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9432 0.7932 -1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9123 0.5193 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2902 1.6260 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8509 1.8733 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0081 0.6607 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6026 0.9096 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9884 2.0015 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 2.3140 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.1976 0.6062 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8464 0.0886 -0.1596 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 1.7672 0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9795 2.0536 -1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 1.9222 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 1.2992 0.0898 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9773 0.2285 0.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2032 -0.1926 1.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 -0.7638 -1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 -1.5368 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 -2.5080 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 -3.7884 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 -4.0709 0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -3.6332 2.1358 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0537 -4.3002 2.8419 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 -4.2203 2.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 -3.9682 2.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0307 -2.5152 2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -2.3176 1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5568 -2.8516 0.0798 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7060 -2.2910 -0.8567 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9917 -2.7321 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4699 -1.3254 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7443 -0.3977 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3474 1.0007 -1.0841 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2477 1.4482 0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7701 1.0340 -1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3005 2.4315 -1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3137 2.7980 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5440 4.2407 -0.8217 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4016 4.9032 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5726 4.6810 -1.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8019 3.6167 -2.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8149 3.6505 -2.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 0.8070 0.6325 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6187 -0.7115 -2.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4260 0.1643 -1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0550 -1.5834 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 -1.2883 -2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5425 -0.0859 -3.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9140 0.9758 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5232 1.7004 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3903 -0.4385 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9573 0.3925 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2437 1.3043 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8434 2.5545 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7857 2.3404 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.6320 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 -0.2288 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 0.4024 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0156 -0.0436 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 1.1962 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 2.9368 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 1.8727 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5854 2.6180 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 3.1792 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 0.8808 1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 -0.7537 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 2.6684 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 3.0488 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 1.2626 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 2.9575 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2768 1.3652 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 2.0874 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9153 0.8274 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 0.1359 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 -0.2026 -1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 -1.3926 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -2.0128 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 -0.7560 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 -1.9589 0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -2.7772 -0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -4.4590 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 -4.3587 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 -3.7359 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0934 -5.2004 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 -2.5680 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -3.5565 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 -5.3464 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -3.8849 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 -4.4166 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -4.4917 2.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 -1.9919 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 -2.0823 3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1423 -2.6824 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -1.2094 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3079 -3.9663 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -1.8805 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5697 -3.3294 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1751 -3.2294 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5621 -1.3085 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4397 -0.8892 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6671 -0.3028 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 -0.7248 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7662 1.6924 -1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0347 1.9382 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4163 0.3793 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8249 0.7295 -2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9349 2.1622 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5608 4.4066 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8313 4.1784 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3373 4.9900 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9452 5.8611 0.5769 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 45 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 45 13 1 0 43 38 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 1 12 68 1 0 13 69 1 1 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 1 17 75 1 6 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 24 87 1 6 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 1 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 6 36106 1 0 37107 1 0 37108 1 0 39109 1 0 40110 1 6 41111 1 0 41112 1 0 41113 1 0 M END