0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 7.67038 10.4091 8.4674 6.20943 6.864 7.07775 5.80928 4.69858 4.51865 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.67038 8.4674 10.4091 6.20943 6.864 5.80928 7.07775 4.69858 4.51865 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 5.03957 12.1187 11.0366 8.73972 4.54938 7.34551 5.80928 6.55187 7.82074 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 5.03957 11.0366 12.1187 8.73972 4.54938 5.80928 7.34551 6.55187 7.82074 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 7.67038 10.4091 4.51865 6.20943 4.54938 7.34551 5.80928 5.14627 8.4674 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.67038 4.51865 10.4091 6.20943 4.54938 5.80928 7.34551 5.14627 8.4674 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 10.4091 7.34551 7.07775 10.4988 7.20519 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 10.4091 7.07775 7.34551 10.4988 7.20519 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 14.5953 13.497 20.7459 8.63333 15.4557 9.94737 19.4068 6.47744 6.86465 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 14.5953 20.7459 13.497 8.63333 15.4557 19.4068 9.94737 6.47744 6.86465 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 14.176 12.1902 20.984 8.89374 15.4557 9.94737 19.4068 6.47744 6.35756 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 14.176 20.984 12.1902 8.89374 15.4557 19.4068 9.94737 6.47744 6.35756 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 7.4697 8.9232 11.4799 5.64598 13.1662 11.8291 16.5689 9.77992 5.93252 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 7.4697 11.4799 8.9232 5.64598 13.1662 16.5689 11.8291 9.77992 5.93252 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 7.4697 8.9232 16.0453 5.64598 13.1662 11.8291 21.7714 9.77992 5.93252 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 7.4697 16.0453 8.9232 5.64598 13.1662 21.7714 11.8291 9.77992 5.93252 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 5.4148 10.2049 11.6369 4.65521 9.96396 15.7123 12.016 7.41074 6.19304 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 5.4148 11.6369 10.2049 4.65521 9.96396 12.016 15.7123 7.41074 6.19304 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 7.4697 11.4799 16.0453 5.64598 13.1662 16.5689 21.7714 9.77992 5.93252 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 7.4697 16.0453 11.4799 5.64598 13.1662 21.7714 16.5689 9.77992 5.93252 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 6.9948 7.47541 7.66905 7.22293 11.2656 6.87425 10.1164 6.47779 5.73196 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 6.9948 7.66905 7.47541 7.22293 11.2656 10.1164 6.87425 6.47779 5.73196 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 6.9948 7.97049 11.2656 9.47876 7.66905 5.42586 10.1164 11.6116 6.19965 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 5.73196 7.47541 6.87425 7.22293 6.47779 7.98917 6.9948 11.2656 7.97049 9.47876 7.66905 10.1164 5.42586 11.6116 6.19965 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 6.9948 6.19965 11.2656 9.47876 7.47541 5.42586 6.87425 7.98917 7.97049 numMergedOcc 0
25 mol 85 unq 1 iso 1 dist 5.73196 7.66905 10.1164 7.22293 6.47779 11.6116 6.9948 11.2656 6.19965 9.47876 7.47541 6.87425 5.42586 7.98917 7.97049 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 5.88134 6.65086 10.5134 7.75343 12.0662 8.8807 17.5254 15.209 7.47343 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 7.17106 9.60661 11.5403 6.58204 5.01145 10.9608 5.88134 10.5134 6.65086 7.75343 12.0662 17.5254 8.8807 15.209 7.47343 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 5.88134 6.65086 10.5134 7.75343 9.35224 7.80879 8.87654 5.69137 6.56369 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 7.17106 9.60661 11.5403 6.58204 5.01145 10.9608 5.88134 10.5134 6.65086 7.75343 9.35224 8.87654 7.80879 5.69137 6.56369 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 5.88134 6.65086 10.5134 7.75343 10.5853 5.38414 8.7812 9.21622 9.30209 numMergedOcc 0
31 mol 100 unq 2 iso 1 dist 7.17106 9.60661 11.5403 6.58204 5.01145 10.9608 5.88134 10.5134 6.65086 7.75343 10.5853 8.7812 5.38414 9.21622 9.30209 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 5.88134 6.65086 6.56369 7.75343 12.0662 8.8807 12.6515 15.209 7.47343 numMergedOcc 0
33 mol 100 unq 3 iso 1 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 5.88134 6.56369 6.65086 7.75343 12.0662 12.6515 8.8807 15.209 7.47343 numMergedOcc 0
34 mol 100 unq 4 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 5.88134 6.65086 6.56369 7.75343 10.5853 5.38414 6.39938 9.21622 9.30209 numMergedOcc 0
35 mol 100 unq 4 iso 1 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 5.88134 6.56369 6.65086 7.75343 10.5853 6.39938 5.38414 9.21622 9.30209 numMergedOcc 0
36 mol 100 unq 3 iso 0 dist 7.17106 9.35224 8.87654 6.58204 5.01145 5.69137 5.88134 10.5134 6.56369 7.75343 12.0662 17.5254 12.6515 15.209 7.47343 numMergedOcc 0
37 mol 100 unq 3 iso 1 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 5.88134 6.56369 10.5134 7.75343 12.0662 12.6515 17.5254 15.209 7.47343 numMergedOcc 0
38 mol 100 unq 4 iso 0 dist 7.17106 9.35224 8.87654 6.58204 5.01145 5.69137 5.88134 10.5134 6.56369 7.75343 9.60661 11.5403 7.80879 10.9608 6.65086 numMergedOcc 0
39 mol 100 unq 4 iso 1 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 5.88134 6.56369 10.5134 7.75343 9.60661 7.80879 11.5403 10.9608 6.65086 numMergedOcc 0
40 mol 100 unq 5 iso 0 dist 7.17106 9.35224 8.87654 6.58204 5.01145 5.69137 5.88134 10.5134 6.56369 7.75343 10.5853 8.7812 6.39938 9.21622 9.30209 numMergedOcc 0
41 mol 100 unq 5 iso 1 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 5.88134 6.56369 10.5134 7.75343 10.5853 6.39938 8.7812 9.21622 9.30209 numMergedOcc 0
42 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.88134 12.0662 9.60661 6.58204 10.5134 17.5254 11.5403 5.01145 7.17106 numMergedOcc 0
43 mol 100 unq 6 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 10.5134 11.5403 17.5254 5.01145 7.17106 numMergedOcc 0
44 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.88134 12.0662 9.60661 6.58204 6.56369 12.6515 7.80879 5.69137 9.35224 numMergedOcc 0
45 mol 100 unq 7 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 6.56369 7.80879 12.6515 5.69137 9.35224 numMergedOcc 0
46 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.88134 12.0662 9.35224 6.58204 6.65086 8.8807 7.80879 10.9608 9.60661 numMergedOcc 0
47 mol 100 unq 8 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 6.65086 7.80879 8.8807 10.9608 9.60661 numMergedOcc 0
48 mol 100 unq 9 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.88134 12.0662 9.35224 6.58204 10.5134 17.5254 8.87654 5.01145 7.17106 numMergedOcc 0
49 mol 100 unq 9 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 10.5134 8.87654 17.5254 5.01145 7.17106 numMergedOcc 0
50 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.88134 12.0662 10.5853 6.58204 6.65086 8.8807 5.38414 10.9608 9.60661 numMergedOcc 0
51 mol 100 unq 10 iso 1 dist 9.30209 7.47343 13.887 7.75343 9.21622 15.209 5.88134 10.5853 12.0662 6.58204 6.65086 5.38414 8.8807 10.9608 9.60661 numMergedOcc 0
52 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.88134 12.0662 10.5853 6.58204 10.5134 17.5254 8.7812 5.01145 7.17106 numMergedOcc 0
53 mol 100 unq 11 iso 1 dist 9.30209 7.47343 13.887 7.75343 9.21622 15.209 5.88134 10.5853 12.0662 6.58204 10.5134 8.7812 17.5254 5.01145 7.17106 numMergedOcc 0
54 mol 100 unq 12 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.88134 12.0662 10.5853 6.58204 6.56369 12.6515 6.39938 5.69137 9.35224 numMergedOcc 0
55 mol 100 unq 12 iso 1 dist 9.30209 7.47343 13.887 7.75343 9.21622 15.209 5.88134 10.5853 12.0662 6.58204 6.56369 6.39938 12.6515 5.69137 9.35224 numMergedOcc 0
56 mol 100 unq 8 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 5.88134 9.60661 9.35224 6.58204 10.5134 11.5403 8.87654 5.01145 7.17106 numMergedOcc 0
57 mol 100 unq 8 iso 1 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 5.88134 9.35224 9.60661 6.58204 10.5134 8.87654 11.5403 5.01145 7.17106 numMergedOcc 0
58 mol 100 unq 9 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 5.88134 9.60661 10.5853 6.58204 10.5134 11.5403 8.7812 5.01145 7.17106 numMergedOcc 0
59 mol 100 unq 9 iso 1 dist 9.30209 6.65086 5.38414 7.75343 9.21622 10.9608 5.88134 10.5853 9.60661 6.58204 10.5134 8.7812 11.5403 5.01145 7.17106 numMergedOcc 0
60 mol 100 unq 10 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 5.88134 9.60661 10.5853 6.58204 6.56369 7.80879 6.39938 5.69137 9.35224 numMergedOcc 0
61 mol 100 unq 10 iso 1 dist 9.30209 6.65086 5.38414 7.75343 9.21622 10.9608 5.88134 10.5853 9.60661 6.58204 6.56369 6.39938 7.80879 5.69137 9.35224 numMergedOcc 0
62 mol 100 unq 9 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 5.88134 9.35224 10.5853 6.58204 6.65086 7.80879 5.38414 10.9608 9.60661 numMergedOcc 0
63 mol 100 unq 9 iso 1 dist 9.30209 6.56369 6.39938 7.75343 9.21622 5.69137 5.88134 10.5853 9.35224 6.58204 6.65086 5.38414 7.80879 10.9608 9.60661 numMergedOcc 0
64 mol 100 unq 10 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 5.88134 9.35224 10.5853 6.58204 10.5134 8.87654 8.7812 5.01145 7.17106 numMergedOcc 0
65 mol 100 unq 10 iso 1 dist 9.30209 6.56369 6.39938 7.75343 9.21622 5.69137 5.88134 10.5853 9.35224 6.58204 10.5134 8.7812 8.87654 5.01145 7.17106 numMergedOcc 0
66 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 7.69052 13.8473 9.33865 9.66954 7.88312 11.5723 8.02349 4.61908 6.11741 numMergedOcc 0
67 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 7.88312 8.02349 11.5723 4.61908 6.11741 numMergedOcc 0
68 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 7.69052 13.8473 6.11741 9.66954 5.83991 10.8507 8.02349 6.09023 9.33865 numMergedOcc 0
69 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69052 6.11741 13.8473 9.66954 5.83991 8.02349 10.8507 6.09023 9.33865 numMergedOcc 0
70 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 13.8473 10.8507 11.5723 11.3902 7.30858 numMergedOcc 0
71 mol 115 unq 2 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 13.8473 11.5723 10.8507 11.3902 7.30858 numMergedOcc 0
72 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 8.80819 11.9139 8.94367 8.79571 12.5075 11.3271 6.81259 6.17103 9.86662 numMergedOcc 0
73 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 12.5075 6.81259 11.3271 6.17103 9.86662 numMergedOcc 0
74 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.00817 9.5126 6.37586 5.42582 12.5075 11.3271 6.81259 6.17103 9.71307 numMergedOcc 0
75 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 12.5075 6.81259 11.3271 6.17103 9.71307 numMergedOcc 0
76 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.80819 6.49416 12.5075 8.6355 11.9139 5.00526 11.3271 10.1448 6.54501 numMergedOcc 0
77 mol 134 unq 2 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.80819 12.5075 6.49416 8.6355 11.9139 11.3271 5.00526 10.1448 6.54501 numMergedOcc 0
78 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.00817 6.49416 12.5075 8.6355 9.5126 5.00526 11.3271 10.1448 6.54501 numMergedOcc 0
79 mol 134 unq 3 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.00817 12.5075 6.49416 8.6355 9.5126 11.3271 5.00526 10.1448 6.54501 numMergedOcc 0
80 mol 142 unq 0 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 5.32922 5.31024 11.0824 9.07935 7.73169 5.50998 5.92693 7.53854 7.26382 numMergedOcc 0
81 mol 142 unq 0 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 5.32922 11.0824 5.31024 9.07935 7.73169 5.92693 5.50998 7.53854 7.26382 numMergedOcc 0
82 mol 142 unq 1 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 11.0824 11.1395 5.92693 10.3477 8.96657 numMergedOcc 0
83 mol 142 unq 1 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 11.0824 5.92693 11.1395 10.3477 8.96657 numMergedOcc 0
84 mol 142 unq 2 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 5.32922 7.26382 11.0824 9.07935 9.2313 5.50998 11.1395 9.49653 5.31024 numMergedOcc 0
85 mol 142 unq 2 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 5.32922 11.0824 7.26382 9.07935 9.2313 11.1395 5.50998 9.49653 5.31024 numMergedOcc 0
86 mol 175 unq 0 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 7.42466 7.652 10.2623 7.24908 5.6234 6.2715 5.35493 10.5631 9.92231 numMergedOcc 0
87 mol 175 unq 0 iso 1 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 7.42466 10.2623 7.652 7.24908 5.6234 5.35493 6.2715 10.5631 9.92231 numMergedOcc 0
88 mol 175 unq 1 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 7.42466 9.0018 5.6234 9.8589 10.2623 8.16421 5.35493 7.5414 6.57069 numMergedOcc 0
89 mol 175 unq 1 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 10.2623 5.35493 8.16421 7.5414 6.57069 numMergedOcc 0
90 mol 175 unq 2 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 7.42466 9.92231 10.2623 7.24908 9.0018 6.2715 8.16421 8.22779 7.652 numMergedOcc 0
91 mol 175 unq 2 iso 1 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 7.42466 10.2623 9.92231 7.24908 9.0018 8.16421 6.2715 8.22779 7.652 numMergedOcc 0
92 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 5.88703 12.9605 9.45496 7.85175 9.36357 12.1694 7.82322 11.4315 6.7625 numMergedOcc 0
93 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 9.36357 7.82322 12.1694 11.4315 6.7625 numMergedOcc 0
94 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 5.88703 12.9605 6.7625 7.85175 6.56247 6.29886 7.82322 11.216 9.45496 numMergedOcc 0
95 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 6.56247 7.82322 6.29886 11.216 9.45496 numMergedOcc 0
96 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 5.88703 6.56247 9.36357 6.25105 12.9605 6.29886 12.1694 10.3337 8.34494 numMergedOcc 0
97 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 5.88703 9.36357 6.56247 6.25105 12.9605 12.1694 6.29886 10.3337 8.34494 numMergedOcc 0
98 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 7.17676 11.8759 11.3552 7.28249 9.81562 7.68742 5.34718 9.99038 9.90963 11.3368 6.04825 6.27581 numMergedOcc 0
99 mol 236 unq 0 iso 1 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 9.99038 11.3368 9.90963 6.04825 6.27581 numMergedOcc 0
100 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 7.17676 11.8759 6.04825 7.28249 9.81562 6.27581 5.34718 6.84306 5.79505 11.3368 11.3552 7.68742 numMergedOcc 0
101 mol 236 unq 1 iso 1 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 6.84306 11.3368 5.79505 11.3552 7.68742 numMergedOcc 0
102 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 6.84306 5.79505 11.8739 11.3552 7.68742 numMergedOcc 0
103 mol 236 unq 2 iso 1 dist 9.78037 8.03456 6.96005 7.17676 12.6468 11.8759 7.28249 13.499 9.81562 5.34718 6.84306 11.8739 5.79505 11.3552 7.68742 numMergedOcc 0
104 mol 236 unq 3 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 9.99038 9.90963 11.1557 6.04825 6.27581 numMergedOcc 0
105 mol 236 unq 3 iso 1 dist 9.78037 8.03456 6.96005 7.17676 12.6468 11.8759 7.28249 13.499 9.81562 5.34718 9.99038 11.1557 9.90963 6.04825 6.27581 numMergedOcc 0
106 mol 236 unq 4 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 6.84306 5.79505 14.7998 11.3552 7.68742 numMergedOcc 0
107 mol 236 unq 4 iso 1 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.28249 11.2141 9.81562 5.34718 6.84306 14.7998 5.79505 11.3552 7.68742 numMergedOcc 0
108 mol 236 unq 5 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 9.99038 9.90963 10.7497 6.04825 6.27581 numMergedOcc 0
109 mol 236 unq 5 iso 1 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.28249 11.2141 9.81562 5.34718 9.99038 10.7497 9.90963 6.04825 6.27581 numMergedOcc 0
110 mol 236 unq 1 iso 0 dist 6.84306 9.99038 11.3368 7.17676 11.3552 6.04825 7.28249 7.68742 6.27581 5.34718 8.03456 5.79505 9.90963 11.8759 9.81562 numMergedOcc 0
111 mol 236 unq 1 iso 1 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 8.03456 9.90963 5.79505 11.8759 9.81562 numMergedOcc 0
112 mol 236 unq 2 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 8.03456 5.79505 6.96005 11.8759 9.81562 numMergedOcc 0
113 mol 236 unq 2 iso 1 dist 9.78037 6.84306 11.8739 7.17676 12.6468 11.3552 7.28249 13.499 7.68742 5.34718 8.03456 6.96005 5.79505 11.8759 9.81562 numMergedOcc 0
114 mol 236 unq 3 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 9.99038 11.3368 11.1557 6.04825 6.27581 numMergedOcc 0
115 mol 236 unq 3 iso 1 dist 9.78037 6.84306 11.8739 7.17676 12.6468 11.3552 7.28249 13.499 7.68742 5.34718 9.99038 11.1557 11.3368 6.04825 6.27581 numMergedOcc 0
116 mol 236 unq 4 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 8.03456 5.79505 14.2337 11.8759 9.81562 numMergedOcc 0
117 mol 236 unq 4 iso 1 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.28249 11.2141 7.68742 5.34718 8.03456 14.2337 5.79505 11.8759 9.81562 numMergedOcc 0
118 mol 236 unq 5 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 9.99038 11.3368 10.7497 6.04825 6.27581 numMergedOcc 0
119 mol 236 unq 5 iso 1 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.28249 11.2141 7.68742 5.34718 9.99038 10.7497 11.3368 6.04825 6.27581 numMergedOcc 0
120 mol 236 unq 2 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 8.03456 9.90963 6.96005 11.8759 9.81562 numMergedOcc 0
121 mol 236 unq 2 iso 1 dist 9.78037 9.99038 11.1557 7.17676 12.6468 6.04825 7.28249 13.499 6.27581 5.34718 8.03456 6.96005 9.90963 11.8759 9.81562 numMergedOcc 0
122 mol 236 unq 3 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 6.84306 11.3368 11.8739 11.3552 7.68742 numMergedOcc 0
123 mol 236 unq 3 iso 1 dist 9.78037 9.99038 11.1557 7.17676 12.6468 6.04825 7.28249 13.499 6.27581 5.34718 6.84306 11.8739 11.3368 11.3552 7.68742 numMergedOcc 0
124 mol 236 unq 4 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 8.03456 9.90963 14.2337 11.8759 9.81562 numMergedOcc 0
125 mol 236 unq 4 iso 1 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.28249 11.2141 6.27581 5.34718 8.03456 14.2337 9.90963 11.8759 9.81562 numMergedOcc 0
126 mol 236 unq 5 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 6.84306 11.3368 14.7998 11.3552 7.68742 numMergedOcc 0
127 mol 236 unq 5 iso 1 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.28249 11.2141 6.27581 5.34718 6.84306 14.7998 11.3368 11.3552 7.68742 numMergedOcc 0
128 mol 236 unq 4 iso 0 dist 9.78037 8.35971 12.0369 7.17676 12.6468 6.40312 7.28249 13.499 11.2141 5.34718 8.03456 6.96005 14.2337 11.8759 9.81562 numMergedOcc 0
129 mol 236 unq 4 iso 1 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.28249 11.2141 13.499 5.34718 8.03456 14.2337 6.96005 11.8759 9.81562 numMergedOcc 0
130 mol 236 unq 5 iso 0 dist 9.78037 8.35971 12.0369 7.17676 12.6468 6.40312 7.28249 13.499 11.2141 5.34718 6.84306 11.8739 14.7998 11.3552 7.68742 numMergedOcc 0
131 mol 236 unq 5 iso 1 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.28249 11.2141 13.499 5.34718 6.84306 14.7998 11.8739 11.3552 7.68742 numMergedOcc 0
132 mol 236 unq 6 iso 0 dist 9.78037 8.35971 12.0369 7.17676 12.6468 6.40312 7.28249 13.499 11.2141 5.34718 9.99038 11.1557 10.7497 6.04825 6.27581 numMergedOcc 0
133 mol 236 unq 6 iso 1 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.28249 11.2141 13.499 5.34718 9.99038 10.7497 11.1557 6.04825 6.27581 numMergedOcc 0
134 mol 236 unq 7 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 7.28249 8.03456 6.84306 7.17676 6.27581 9.90963 11.3368 6.04825 9.99038 numMergedOcc 0
135 mol 236 unq 7 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 6.27581 11.3368 9.90963 6.04825 9.99038 numMergedOcc 0
136 mol 236 unq 8 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 7.28249 8.03456 6.84306 7.17676 13.499 6.96005 11.8739 12.6468 9.78037 numMergedOcc 0
137 mol 236 unq 8 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 13.499 11.8739 6.96005 12.6468 9.78037 numMergedOcc 0
138 mol 236 unq 9 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 7.28249 8.03456 6.84306 7.17676 11.2141 14.2337 14.7998 6.40312 8.35971 numMergedOcc 0
139 mol 236 unq 9 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 11.2141 14.7998 14.2337 6.40312 8.35971 numMergedOcc 0
140 mol 236 unq 10 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 7.28249 8.03456 9.99038 7.17676 7.68742 5.79505 11.3368 11.3552 6.84306 numMergedOcc 0
141 mol 236 unq 10 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 7.68742 11.3368 5.79505 11.3552 6.84306 numMergedOcc 0
142 mol 236 unq 11 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 7.28249 8.03456 9.99038 7.17676 13.499 6.96005 11.1557 12.6468 9.78037 numMergedOcc 0
143 mol 236 unq 11 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 13.499 11.1557 6.96005 12.6468 9.78037 numMergedOcc 0
144 mol 236 unq 12 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 7.28249 8.03456 9.99038 7.17676 11.2141 14.2337 10.7497 6.40312 8.35971 numMergedOcc 0
145 mol 236 unq 12 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 11.2141 10.7497 14.2337 6.40312 8.35971 numMergedOcc 0
146 mol 236 unq 10 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 7.28249 6.84306 9.99038 7.17676 9.81562 5.79505 9.90963 11.8759 8.03456 numMergedOcc 0
147 mol 236 unq 10 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 9.81562 9.90963 5.79505 11.8759 8.03456 numMergedOcc 0
148 mol 236 unq 11 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 7.28249 6.84306 9.99038 7.17676 13.499 11.8739 11.1557 12.6468 9.78037 numMergedOcc 0
149 mol 236 unq 11 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 13.499 11.1557 11.8739 12.6468 9.78037 numMergedOcc 0
150 mol 236 unq 12 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 7.28249 6.84306 9.99038 7.17676 11.2141 14.7998 10.7497 6.40312 8.35971 numMergedOcc 0
151 mol 236 unq 12 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 11.2141 10.7497 14.7998 6.40312 8.35971 numMergedOcc 0
152 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 12.5353 15.9169 18.2309 8.37865 12.0576 15.8535 16.9228 5.31048 5.30224 numMergedOcc 0
153 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 12.5353 18.2309 15.9169 8.37865 12.0576 16.9228 15.8535 5.31048 5.30224 numMergedOcc 0
154 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 12.5353 15.9169 11.858 8.37865 12.0576 15.8535 9.98105 5.31048 5.30224 numMergedOcc 0
155 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 12.5353 11.858 15.9169 8.37865 12.0576 9.98105 15.8535 5.31048 5.30224 numMergedOcc 0
156 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 12.5353 15.9169 20.3294 8.37865 12.0576 15.8535 17.9439 5.31048 5.30224 numMergedOcc 0
157 mol 259 unq 2 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 12.5353 20.3294 15.9169 8.37865 12.0576 17.9439 15.8535 5.31048 5.30224 numMergedOcc 0
158 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 12.5353 18.2309 11.858 8.37865 12.0576 16.9228 9.98105 5.31048 5.30224 numMergedOcc 0
159 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 12.5353 11.858 18.2309 8.37865 12.0576 9.98105 16.9228 5.31048 5.30224 numMergedOcc 0
160 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 12.5353 18.2309 20.3294 8.37865 12.0576 16.9228 17.9439 5.31048 5.30224 numMergedOcc 0
161 mol 259 unq 2 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 12.5353 20.3294 18.2309 8.37865 12.0576 17.9439 16.9228 5.31048 5.30224 numMergedOcc 0
162 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 12.5353 11.858 20.3294 8.37865 12.0576 9.98105 17.9439 5.31048 5.30224 numMergedOcc 0
163 mol 259 unq 2 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 12.5353 20.3294 11.858 8.37865 12.0576 17.9439 9.98105 5.31048 5.30224 numMergedOcc 0
