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0 0 0 0 0 0 0 0 0 6.4680 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6927 1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3387 1.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9578 3.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -2.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0467 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9623 3.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3381 -2.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0710 2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0536 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1841 -2.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9155 -1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -2.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 3.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9664 3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5499 -2.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 2.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5163 -3.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 -6.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9726 -4.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5499 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8073 3.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9517 3.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 -3.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 3.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 -2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5365 2.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9701 -4.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9157 -5.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 -3.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7767 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 3.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9262 -4.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9354 -3.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0598 -4.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9998 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 -2.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7976 3.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3173 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5517 4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7599 3.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7079 -3.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 0.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 -1.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2682 5.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4764 3.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5893 4.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0058 2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6798 -3.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3404 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 -0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7673 0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6694 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4915 -2.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4099 -2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6677 -3.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6110 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0223 6.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4388 3.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 5.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9682 1.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2005 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 -2.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0599 6.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6847 2.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9182 3.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9233 1.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 -1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7070 -0.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2821 -3.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8194 -2.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8649 4.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3240 4.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1451 4.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5616 1.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0737 -0.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 0.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3854 0.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9464 -2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8388 -2.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9028 -3.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8801 -3.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4665 6.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8831 4.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7468 5.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1206 1.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 0.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 -0.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 2.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -2.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 6.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2814 2.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 2.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -1.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 73 1 0 0 0 0 2 36 2 0 0 0 0 3 54 1 0 0 0 0 3 76 1 0 0 0 0 4 54 2 0 0 0 0 9 5 1 6 0 0 0 5 71 2 0 0 0 0 13 6 1 1 0 0 0 6 72 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 12105 1 0 0 0 0 13 54 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 22 2 0 0 0 0 15 28 1 0 0 0 0 16 23 1 0 0 0 0 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C1C2=CC=C(COC(=O)C3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%16C%17C%18=C%19C%15=C%12C%12=C%19C%15=C(C9=C%12%10)C9=C%10C%15=C%18C%12=C%15C%10=C(C6=C98)C6=C4C4=C8C9=C(C%16=C%14C%10=C9C9=C4C5=C4C7=C3C3=C4C9=C%10C%13=C%113)C3(C%17%12C3(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C8=C%156)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C=C2 > C1C2=CC=C(COC(=O)[C@]3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%16C%17C%18=C%19C%15=C%12C%12=C%19C%15=C(C9=C%12%10)C9=C%10C%15=C%18C%12=C%15C%10=C(C6=C98)C6=C4C4=C8C9=C(C%16=C%14C%10=C9C9=C4C5=C4C7=C3C3=C4C9=C%10C%13=C%113)C3(C%17%12[C@]3(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C8=C%156)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C=C2 > 77.3 > 1298.22055744 > 0 > 104 > 2 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 25 3 100 104 8 11 30 3 12 24 3 14 19 8 14 20 8 15 22 8 15 28 8 16 23 8 16 27 8 17 34 3 18 26 8 18 29 8 19 22 8 19 26 8 20 27 8 20 29 8 21 31 8 21 35 8 22 33 8 23 38 8 24 28 8 24 42 8 25 32 8 25 39 8 26 31 8 27 37 8 28 40 8 29 32 8 30 41 8 30 43 8 31 33 8 32 45 8 33 44 8 34 46 8 34 49 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