0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 4.90888 6.82505 5.17568 9.5538 7.12903 5.90976 5.51916 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.70735 4.90888 6.82505 9.40358 9.97507 5.17568 9.5538 7.12903 5.51916 5.90976 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.5983 6.03987 4.51512 7.40735 7.685 8.43188 10.3635 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 7.40735 7.685 10.3635 8.43188 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 10.3287 7.34143 9.162 9.26324 7.18176 5.93337 4.5482 numMergedOcc 0
5 mol 52 unq 0 iso 1 dist 5.26018 10.3287 7.34143 12.8491 9.80098 9.162 9.26324 7.18176 4.5482 5.93337 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.1203 5.92851 9.80098 6.03647 7.34143 9.162 6.22409 7.18176 5.93337 4.5482 numMergedOcc 0
7 mol 52 unq 1 iso 1 dist 7.1203 6.03647 7.34143 5.92851 9.80098 9.162 6.22409 7.18176 4.5482 5.93337 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.70415 5.46309 6.65721 11.9897 6.72123 6.86346 10.4362 8.76003 5.83489 7.39396 numMergedOcc 0
9 mol 61 unq 0 iso 1 dist 9.70415 11.9897 6.72123 5.46309 6.65721 6.86346 10.4362 8.76003 7.39396 5.83489 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.0607 9.96708 10.7394 13.1473 6.77912 12.0644 7.11552 numMergedOcc 0
11 mol 72 unq 0 iso 1 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 13.1473 6.77912 7.11552 12.0644 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 6.12361 9.78528 8.24309 5.00053 7.321 9.0131 6.11922 numMergedOcc 0
13 mol 72 unq 1 iso 1 dist 6.7212 6.12361 9.78528 11.6369 9.96708 8.24309 5.00053 7.321 6.11922 9.0131 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 13.5384 7.66905 5.42586 8.46482 7.22293 7.98917 11.6116 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 8.46482 7.22293 11.6116 7.98917 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 6.56728 11.609 7.47541 5.29763 5.73196 6.87425 8.46482 7.22293 7.98917 6.47779 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 6.56728 5.29763 5.73196 11.609 7.47541 6.87425 8.46482 7.22293 6.47779 7.98917 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 8.46482 7.22293 11.6116 6.47779 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 6.56728 5.29763 5.73196 13.5384 7.66905 10.1164 8.46482 7.22293 6.47779 11.6116 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 12.0555 7.47343 5.33144 7.38658 8.72704 7.2495 10.1589 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 7.38658 8.72704 10.1589 7.2495 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 12.7188 8.86688 9.71151 7.38658 8.72704 7.2495 15.9331 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 8.92577 12.7188 8.86688 6.89293 6.45675 9.71151 7.38658 8.72704 15.9331 7.2495 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 7.38658 8.72704 10.1589 15.9331 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 8.92577 12.7188 8.86688 12.0555 7.47343 10.1407 7.38658 8.72704 15.9331 10.1589 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 9.56324 15.1093 6.45675 16.8752 7.47343 5.33144 15.7025 8.72704 7.2495 10.1589 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 15.7025 8.72704 10.1589 7.2495 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 9.56324 15.1093 6.45675 13.0353 8.86688 9.71151 15.7025 8.72704 7.2495 15.9331 numMergedOcc 0
29 mol 100 unq 3 iso 1 dist 9.56324 13.0353 8.86688 15.1093 6.45675 9.71151 15.7025 8.72704 15.9331 7.2495 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 15.7025 8.72704 10.1589 15.9331 numMergedOcc 0
31 mol 100 unq 3 iso 1 dist 9.56324 13.0353 8.86688 16.8752 7.47343 10.1407 15.7025 8.72704 15.9331 10.1589 numMergedOcc 0
32 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 11.8754 7.75343 15.209 10.9608 numMergedOcc 0
33 mol 100 unq 4 iso 1 dist 5.70279 5.85449 6.65086 5.92158 7.47343 8.8807 11.8754 7.75343 10.9608 15.209 numMergedOcc 0
34 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 11.8754 7.75343 15.209 5.69137 numMergedOcc 0
35 mol 100 unq 5 iso 1 dist 5.70279 7.68675 6.56369 5.92158 7.47343 12.6515 11.8754 7.75343 5.69137 15.209 numMergedOcc 0
36 mol 100 unq 6 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 11.8754 7.75343 15.209 9.21622 numMergedOcc 0
37 mol 100 unq 6 iso 1 dist 5.70279 9.53223 9.30209 5.92158 7.47343 13.887 11.8754 7.75343 9.21622 15.209 numMergedOcc 0
38 mol 100 unq 5 iso 0 dist 5.70279 5.85449 6.65086 7.68675 6.56369 7.80879 11.8754 7.75343 10.9608 5.69137 numMergedOcc 0
39 mol 100 unq 5 iso 1 dist 5.70279 7.68675 6.56369 5.85449 6.65086 7.80879 11.8754 7.75343 5.69137 10.9608 numMergedOcc 0
40 mol 100 unq 6 iso 0 dist 5.70279 5.85449 6.65086 9.53223 9.30209 5.38414 11.8754 7.75343 10.9608 9.21622 numMergedOcc 0
41 mol 100 unq 6 iso 1 dist 5.70279 9.53223 9.30209 5.85449 6.65086 5.38414 11.8754 7.75343 9.21622 10.9608 numMergedOcc 0
42 mol 100 unq 6 iso 0 dist 5.70279 7.68675 6.56369 9.53223 9.30209 6.39938 11.8754 7.75343 5.69137 9.21622 numMergedOcc 0
43 mol 100 unq 6 iso 1 dist 5.70279 9.53223 9.30209 7.68675 6.56369 6.39938 11.8754 7.75343 9.21622 5.69137 numMergedOcc 0
44 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 5.19652 6.11741 8.02349 7.266 9.66954 6.09023 4.61908 numMergedOcc 0
45 mol 115 unq 0 iso 1 dist 8.97043 5.19652 6.11741 11.8721 9.33865 8.02349 7.266 9.66954 4.61908 6.09023 numMergedOcc 0
46 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 5.19652 6.11741 8.02349 11.6637 7.64585 10.2377 10.8939 numMergedOcc 0
47 mol 115 unq 1 iso 1 dist 8.97043 5.19652 6.11741 11.8721 9.33865 8.02349 11.6637 7.64585 10.8939 10.2377 numMergedOcc 0
48 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 5.21051 7.90328 13.1058 5.70073 6.62561 11.3679 4.91401 numMergedOcc 0
49 mol 117 unq 0 iso 1 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 5.70073 6.62561 4.91401 11.3679 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 7.26771 5.42582 5.41704 6.17103 numMergedOcc 0
51 mol 134 unq 0 iso 1 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 7.26771 5.42582 6.17103 5.41704 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 5.57904 7.41837 6.54501 6.50005 6.49416 5.00526 7.26771 8.6355 10.1448 5.41704 numMergedOcc 0
53 mol 134 unq 1 iso 1 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 7.26771 8.6355 5.41704 10.1448 numMergedOcc 0
54 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 4.39297 7.26382 5.50998 11.8956 9.07935 9.49653 7.53854 numMergedOcc 0
55 mol 142 unq 0 iso 1 dist 9.14908 4.39297 7.26382 6.3846 5.31024 5.50998 11.8956 9.07935 7.53854 9.49653 numMergedOcc 0
56 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 6.29601 8.24498 10.5449 5.33649 6.84247 6.7067 6.05129 numMergedOcc 0
57 mol 220 unq 0 iso 1 dist 6.21273 6.29601 8.24498 5.1021 9.23153 10.5449 5.33649 6.84247 6.05129 6.7067 numMergedOcc 0
58 mol 220 unq 1 iso 0 dist 6.21273 5.1021 9.23153 6.29601 8.24498 10.5449 12.5011 6.99002 15.9568 11.1321 numMergedOcc 0
59 mol 220 unq 1 iso 1 dist 6.21273 6.29601 8.24498 5.1021 9.23153 10.5449 12.5011 6.99002 11.1321 15.9568 numMergedOcc 0
60 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 5.39098 7.7699 10.4579 11.3364 6.82208 4.8892 11.0074 numMergedOcc 0
61 mol 222 unq 0 iso 1 dist 5.47561 5.39098 7.7699 10.6375 8.01589 10.4579 11.3364 6.82208 11.0074 4.8892 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 5.47561 10.6375 8.01589 5.60111 7.21333 13.3522 11.3364 6.82208 4.8892 12.2813 numMergedOcc 0
63 mol 222 unq 1 iso 1 dist 5.47561 5.60111 7.21333 10.6375 8.01589 13.3522 11.3364 6.82208 12.2813 4.8892 numMergedOcc 0
64 mol 222 unq 1 iso 0 dist 5.47561 5.39098 7.7699 5.60111 7.21333 5.24516 11.3364 6.82208 11.0074 12.2813 numMergedOcc 0
65 mol 222 unq 1 iso 1 dist 5.47561 5.60111 7.21333 5.39098 7.7699 5.24516 11.3364 6.82208 12.2813 11.0074 numMergedOcc 0
66 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 9.81806 6.57273 4.70378 9.9234 6.87664 7.98696 7.12232 numMergedOcc 0
67 mol 224 unq 0 iso 1 dist 9.73411 9.81806 6.57273 14.1073 8.95269 4.70378 9.9234 6.87664 7.12232 7.98696 numMergedOcc 0
68 mol 224 unq 1 iso 0 dist 9.73411 14.1073 8.95269 5.99647 5.78342 11.5372 9.9234 6.87664 7.98696 5.3621 numMergedOcc 0
69 mol 224 unq 1 iso 1 dist 9.73411 5.99647 5.78342 14.1073 8.95269 11.5372 9.9234 6.87664 5.3621 7.98696 numMergedOcc 0
70 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 5.99647 5.78342 8.49799 9.9234 6.87664 7.12232 5.3621 numMergedOcc 0
71 mol 224 unq 1 iso 1 dist 9.73411 5.99647 5.78342 9.81806 6.57273 8.49799 9.9234 6.87664 5.3621 7.12232 numMergedOcc 0
72 mol 224 unq 2 iso 0 dist 7.07564 11.8217 8.95269 10.8463 6.57273 4.70378 4.92261 6.87664 7.98696 7.12232 numMergedOcc 0
73 mol 224 unq 2 iso 1 dist 7.07564 10.8463 6.57273 11.8217 8.95269 4.70378 4.92261 6.87664 7.12232 7.98696 numMergedOcc 0
74 mol 224 unq 3 iso 0 dist 7.07564 11.8217 8.95269 5.44863 5.78342 11.5372 4.92261 6.87664 7.98696 5.3621 numMergedOcc 0
75 mol 224 unq 3 iso 1 dist 7.07564 5.44863 5.78342 11.8217 8.95269 11.5372 4.92261 6.87664 5.3621 7.98696 numMergedOcc 0
76 mol 224 unq 3 iso 0 dist 7.07564 10.8463 6.57273 5.44863 5.78342 8.49799 4.92261 6.87664 7.12232 5.3621 numMergedOcc 0
77 mol 224 unq 3 iso 1 dist 7.07564 5.44863 5.78342 10.8463 6.57273 8.49799 4.92261 6.87664 5.3621 7.12232 numMergedOcc 0
78 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 7.35206 8.17891 6.43754 9.13836 numMergedOcc 0
79 mol 227 unq 0 iso 1 dist 9.60159 6.38287 7.09863 7.51316 7.22101 4.39704 7.35206 8.17891 9.13836 6.43754 numMergedOcc 0
80 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 9.76823 8.33025 6.0987 5.3935 7.66365 4.23801 9.37715 numMergedOcc 0
81 mol 252 unq 0 iso 1 dist 7.93609 9.76823 8.33025 7.59919 8.1148 6.0987 5.3935 7.66365 9.37715 4.23801 numMergedOcc 0
82 mol 261 unq 0 iso 0 dist 6.82526 10.9571 9.14619 10.3274 8.45658 7.00201 5.74092 7.47164 7.49174 5.22253 numMergedOcc 0
83 mol 261 unq 0 iso 1 dist 6.82526 10.3274 8.45658 10.9571 9.14619 7.00201 5.74092 7.47164 5.22253 7.49174 numMergedOcc 0
84 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 10.4451 8.46116 8.12676 13.7563 9.09992 10.841 5.63139 numMergedOcc 0
85 mol 272 unq 0 iso 1 dist 7.31993 10.4451 8.46116 7.33684 9.97651 8.12676 13.7563 9.09992 5.63139 10.841 numMergedOcc 0
86 mol 272 unq 1 iso 0 dist 7.31993 7.33684 9.97651 10.4451 8.46116 8.12676 5.91451 6.16449 4.72202 8.52877 numMergedOcc 0
87 mol 272 unq 1 iso 1 dist 7.31993 10.4451 8.46116 7.33684 9.97651 8.12676 5.91451 6.16449 8.52877 4.72202 numMergedOcc 0
