0 mol 58 unq 0 iso 0 dist 6.46761 7.58407 6.44201 10.8153 8.63333 14.2147 14.7581 12.8396 8.80108 17.9224 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 6.46761 7.58407 6.44201 10.8153 8.63333 14.2147 8.74789 6.96494 6.50297 10.6476 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 6.46761 7.58407 6.44201 8.62958 8.89374 14.3086 14.7581 12.8396 8.80108 20.1607 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 6.46761 7.58407 6.44201 8.62958 8.89374 14.3086 8.74789 6.96494 6.50297 12.7331 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 6.46761 7.58407 6.44201 6.47414 9.73139 6.31428 14.7581 12.8396 8.80108 10.3782 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 6.46761 7.58407 6.44201 6.47414 9.73139 6.31428 8.74789 6.96494 6.50297 7.02095 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 7.58407 6.46761 6.44201 11.0466 6.40841 10.9482 8.74789 6.50297 6.96494 5.64209 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 7.58407 6.46761 6.44201 11.0466 6.40841 10.9482 6.61756 10.2688 7.01363 11.2323 numMergedOcc 0
8 mol 58 unq 8 iso 0 dist 7.58407 6.46761 6.44201 6.47414 6.31428 9.73139 8.74789 6.50297 6.96494 7.02095 numMergedOcc 0
9 mol 58 unq 9 iso 0 dist 7.58407 6.46761 6.44201 6.47414 6.31428 9.73139 6.61756 10.2688 7.01363 8.94672 numMergedOcc 0
10 mol 58 unq 10 iso 0 dist 9.73139 6.31428 6.44201 14.5953 8.63333 14.2147 10.3782 12.8396 8.80108 17.9224 numMergedOcc 0
11 mol 58 unq 11 iso 0 dist 9.73139 6.31428 6.44201 14.5953 8.63333 14.2147 7.02095 6.96494 6.50297 10.6476 numMergedOcc 0
12 mol 58 unq 12 iso 0 dist 9.73139 6.31428 6.44201 14.176 8.89374 14.3086 10.3782 12.8396 8.80108 20.1607 numMergedOcc 0
13 mol 58 unq 13 iso 0 dist 9.73139 6.31428 6.44201 14.176 8.89374 14.3086 7.02095 6.96494 6.50297 12.7331 numMergedOcc 0
14 mol 58 unq 14 iso 0 dist 9.73139 6.31428 6.44201 6.47414 6.46761 7.58407 10.3782 12.8396 8.80108 14.7581 numMergedOcc 0
15 mol 58 unq 15 iso 0 dist 9.73139 6.31428 6.44201 6.47414 6.46761 7.58407 7.02095 6.96494 6.50297 8.74789 numMergedOcc 0
16 mol 58 unq 16 iso 0 dist 6.31428 9.73139 6.44201 5.90225 6.40841 10.9482 7.02095 6.50297 6.96494 5.64209 numMergedOcc 0
17 mol 58 unq 17 iso 0 dist 6.31428 9.73139 6.44201 5.90225 6.40841 10.9482 8.94672 10.2688 7.01363 11.2323 numMergedOcc 0
18 mol 58 unq 18 iso 0 dist 6.31428 9.73139 6.44201 6.47414 7.58407 6.46761 7.02095 6.50297 6.96494 8.74789 numMergedOcc 0
19 mol 58 unq 19 iso 0 dist 6.31428 9.73139 6.44201 6.47414 7.58407 6.46761 8.94672 10.2688 7.01363 6.61756 numMergedOcc 0
20 mol 64 unq 0 iso 0 dist 9.54144 9.80142 6.23335 10.6748 8.68586 13.3487 4.94316 10.2507 8.06829 14.5489 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 9.66954 7.64585 12.0796 7.69052 8.66155 12.2309 10.7942 12.4065 6.40036 10.9739 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 7.34519 8.59981 12.7129 5.55757 8.58999 7.66331 4.77464 11.7518 6.3244 7.11695 numMergedOcc 0
23 mol 127 unq 1 iso 0 dist 7.34519 8.59981 12.7129 6.16471 6.63981 11.7596 4.77464 11.7518 6.3244 9.79266 numMergedOcc 0
24 mol 127 unq 2 iso 0 dist 8.58999 7.66331 12.7129 5.55757 7.34519 8.59981 7.11695 11.7518 6.3244 4.77464 numMergedOcc 0
25 mol 127 unq 3 iso 0 dist 8.58999 7.66331 12.7129 4.48524 6.63981 11.7596 7.11695 11.7518 6.3244 9.79266 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 9.87281 8.27111 6.0706 10.6882 9.17284 13.2459 5.48883 6.51096 8.73171 6.3845 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 9.87281 8.27111 6.0706 4.66274 8.87452 7.68368 5.48883 6.51096 8.73171 5.77564 numMergedOcc 0
28 mol 155 unq 2 iso 0 dist 8.87452 7.68368 6.0706 12.1545 9.17284 13.2459 5.77564 6.51096 8.73171 6.3845 numMergedOcc 0
29 mol 155 unq 3 iso 0 dist 8.87452 7.68368 6.0706 4.66274 9.87281 8.27111 5.77564 6.51096 8.73171 5.48883 numMergedOcc 0
30 mol 155 unq 4 iso 0 dist 7.16254 9.86313 7.63368 5.71071 9.14392 7.51198 13.5062 13.2154 7.37901 8.27726 numMergedOcc 0
31 mol 155 unq 5 iso 0 dist 9.86313 7.16254 7.63368 5.71071 7.51198 9.14392 4.9093 10.3514 6.51096 6.3437 numMergedOcc 0
32 mol 155 unq 6 iso 0 dist 9.86313 7.16254 7.63368 5.71071 7.51198 9.14392 10.7896 11.8293 8.73171 9.99927 numMergedOcc 0
33 mol 155 unq 7 iso 0 dist 9.14392 7.51198 7.63368 5.71071 7.16254 9.86313 8.27726 13.2154 7.37901 13.5062 numMergedOcc 0
34 mol 155 unq 8 iso 0 dist 7.51198 9.14392 7.63368 5.71071 9.86313 7.16254 6.3437 10.3514 6.51096 4.9093 numMergedOcc 0
35 mol 155 unq 9 iso 0 dist 7.51198 9.14392 7.63368 5.71071 9.86313 7.16254 9.99927 11.8293 8.73171 10.7896 numMergedOcc 0
36 mol 155 unq 10 iso 0 dist 8.65888 9.87281 10.1369 7.01918 7.70572 12.0728 5.48883 11.1032 6.51096 9.36596 numMergedOcc 0
37 mol 155 unq 11 iso 0 dist 8.65888 8.27111 5.44147 7.01918 7.70572 10.6403 5.48883 11.1032 8.73171 9.36596 numMergedOcc 0
38 mol 155 unq 12 iso 0 dist 7.70572 7.39644 9.42764 7.01918 8.65888 13.1369 5.40375 10.9049 7.37901 8.78665 numMergedOcc 0
39 mol 155 unq 13 iso 0 dist 8.27111 9.87281 6.0706 4.66274 7.68368 8.87452 5.48883 8.73171 6.51096 5.77564 numMergedOcc 0
40 mol 155 unq 14 iso 0 dist 7.68368 8.87452 6.0706 4.66274 8.27111 9.87281 5.77564 8.73171 6.51096 5.48883 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 6.67585 7.06793 6.88258 4.70378 6.65984 10.0414 7.98696 9.47554 8.89778 7.12232 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 6.95902 9.62609 8.55671 5.22356 8.17891 13.4493 8.8709 7.95168 6.152 13.3557 numMergedOcc 0
43 mol 228 unq 0 iso 0 dist 8.06181 9.42615 8.57673 5.43096 8.38048 12.7909 4.81881 8.37287 7.46689 6.5952 numMergedOcc 0
44 mol 228 unq 1 iso 0 dist 8.06181 9.42615 8.57673 11.1899 7.65132 14.9859 4.81881 8.37287 7.46689 11.1604 numMergedOcc 0
45 mol 228 unq 2 iso 0 dist 8.06181 9.42615 8.57673 5.93014 8.53764 13.6165 4.81881 8.37287 7.46689 10.1917 numMergedOcc 0
46 mol 228 unq 3 iso 0 dist 7.77367 9.06121 8.22089 5.42695 8.20909 12.4332 4.75417 8.07174 7.09766 6.53802 numMergedOcc 0
47 mol 228 unq 4 iso 0 dist 7.77367 9.06121 8.22089 11.3702 7.94506 14.7666 4.75417 8.07174 7.09766 11.0908 numMergedOcc 0
48 mol 228 unq 5 iso 0 dist 7.77367 9.06121 8.22089 6.001 8.15494 13.3068 4.75417 8.07174 7.09766 10.0837 numMergedOcc 0
49 mol 234 unq 0 iso 0 dist 7.85175 9.5707 5.32617 5.88703 6.25105 10.3388 5.56749 10.0446 8.49841 10.6156 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 7.85175 9.5707 5.32617 5.88703 6.25105 10.3388 12.1076 10.7048 9.6101 15.0456 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 6.55759 7.02475 6.44245 5.42006 5.38637 9.98024 8.82861 11.4385 6.65088 13.6797 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 6.55759 7.67322 10.677 5.42006 5.38637 12.0632 8.82861 11.4385 6.5772 13.6797 numMergedOcc 0
53 mol 238 unq 2 iso 0 dist 6.55759 7.19008 12.1411 5.42006 5.38637 12.0365 8.82861 11.4385 6.17025 13.6797 numMergedOcc 0
54 mol 238 unq 3 iso 0 dist 7.02475 7.67322 5.44694 12.9854 8.96531 10.0552 8.82861 6.65088 6.5772 4.65297 numMergedOcc 0
55 mol 238 unq 4 iso 0 dist 7.02475 7.19008 10.1756 12.9854 8.96531 10.0962 8.82861 6.65088 6.17025 4.65297 numMergedOcc 0
56 mol 238 unq 5 iso 0 dist 9.68513 5.9216 4.83721 10.1648 9.29858 10.7386 10.438 10.9442 8.70193 15.5674 numMergedOcc 0
57 mol 238 unq 6 iso 0 dist 8.09066 8.14172 10.9258 5.6348 6.05141 10.6978 5.68826 11.5207 6.00721 10.8635 numMergedOcc 0
58 mol 238 unq 7 iso 0 dist 8.09066 8.14172 10.9258 5.31152 7.2766 6.77463 5.68826 11.5207 6.00721 4.87097 numMergedOcc 0
59 mol 238 unq 8 iso 0 dist 7.2766 6.77463 10.9258 8.87326 6.05141 10.6978 4.87097 11.5207 6.00721 10.8635 numMergedOcc 0
60 mol 238 unq 9 iso 0 dist 7.2766 6.77463 10.9258 5.31152 8.09066 8.14172 4.87097 11.5207 6.00721 5.68826 numMergedOcc 0
61 mol 238 unq 10 iso 0 dist 7.19008 7.02475 10.1756 5.34096 7.49471 12.1784 8.82861 6.17025 6.65088 12.1252 numMergedOcc 0
62 mol 238 unq 11 iso 0 dist 7.19008 7.67322 9.50847 5.34096 7.49471 12.1937 8.82861 6.17025 6.5772 12.1252 numMergedOcc 0
63 mol 293 unq 0 iso 0 dist 9.47908 9.97212 7.08365 10.9721 8.56847 14.1253 5.82671 10.5462 9.70656 10.7483 numMergedOcc 0
64 mol 293 unq 1 iso 0 dist 9.47908 9.97212 7.08365 10.9721 8.56847 14.1253 8.15509 10.055 6.33356 13.2349 numMergedOcc 0
