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0 0 0 0 0 0 0 0 0 0 0 8.6451 0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2871 -2.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2518 -4.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7575 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9293 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1401 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5312 -3.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1932 -2.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6451 -4.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 -3.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1276 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1010 -2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4928 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7291 -3.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7297 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7094 -4.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 -2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9224 -5.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 -3.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2804 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2441 3.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3772 -4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2046 -1.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3184 2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 -5.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -3.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9437 -4.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2067 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 3.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1657 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5434 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1219 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8522 -5.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1816 1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1632 -6.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -3.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9902 -5.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 -5.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 -6.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 -4.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 -4.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 -3.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 -4.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9949 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 3.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1942 -4.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0761 -2.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7939 -4.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1085 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4214 -3.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7663 -3.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5548 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9831 -0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 3.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 3.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 -0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2820 4.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5526 4.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 -2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3897 5.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9919 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1269 -2.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -0.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8308 0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4041 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1717 6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6436 -4.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6918 -3.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3215 0.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 -0.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3723 -1.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 1.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6001 -5.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3714 -4.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1532 -0.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0365 -0.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7874 -5.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 -4.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5831 -1.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3965 -1.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3023 -3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5129 -4.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9434 -2.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3147 -3.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -0.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8903 3.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0887 3.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 0.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8010 5.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9993 4.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4748 -3.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 -3.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1386 1.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 1.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 -2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 0.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5108 6.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6907 7.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8325 7.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 92 1 0 0 0 0 1102 1 0 0 0 0 2 36 2 0 0 0 0 2 74 1 0 0 0 0 3 37 2 0 0 0 0 3 75 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 24 1 0 0 0 0 8 36 1 0 0 0 0 9 25 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 20 2 0 0 0 0 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COC1=CC=C(C=C1)N=CC23CCCC4=CC=C(CCCC5(C67C58C9=C1C5=C%10C%11=C%12C5=C5C%13=C%14C%15=C%16C22C33C%14=C%14C%17=C%13C%12=C%12C%17=C%13C%17=C%18C%19=C%20C%21=C%22C(=C%23C%20=C%20C%19=C%19C%17=C%12C%11=C%19C%11=C%20C(=C%236)C9=C%10%11)C7=C(C%16=C8C1=C5%15)C2=C%22C1=C%21C%18=C%13C%14=C31)C=NC1=C2C=CC3=CC=CC5=C3C2=C(C=C5)C=C1)C=C4 > 34 > 1266.267114 > 0 > 102 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 20 8 100 101 8 11 15 8 11 21 8 12 14 8 12 22 8 13 15 8 13 23 8 14 15 8 16 28 8 16 32 8 17 29 8 17 33 8 18 26 8 18 34 8 19 27 8 19 35 8 20 26 8 20 30 8 21 27 8 21 31 8 22 28 8 22 30 8 23 29 8 23 31 8 26 38 8 27 39 8 28 42 8 29 43 8 30 40 8 31 41 8 32 33 8 32 44 8 33 45 8 34 35 8 34 46 8 35 47 8 38 40 8 38 50 8 39 41 8 39 51 8 40 48 8 41 49 8 42 48 8 42 52 8 43 49 8 43 53 8 44 52 8 44 54 8 45 53 8 45 54 8 46 50 8 46 55 8 47 51 8 47 56 8 48 57 8 49 58 8 5 16 3 50 61 8 51 62 8 52 63 8 53 64 8 54 65 8 55 56 8 55 66 8 56 67 8 57 61 8 57 63 8 58 62 8 58 64 8 6 17 3 61 66 8 62 67 8 63 68 8 64 69 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