0 mol 19 unq 0 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 8.78293 10.9543 5.31524 11.4401 4.97119 6.41575 10.741 6.41423 13.1234 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 8.78293 10.9543 11.4401 5.31524 4.97119 6.41575 6.41423 10.741 13.1234 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 8.23643 6.55187 11.0832 12.3093 4.97119 6.41575 10.741 6.41423 11.3136 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 8.23643 6.55187 12.3093 11.0832 4.97119 6.41575 6.41423 10.741 11.3136 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 7.82528 5.14627 10.4988 4.69858 4.97119 6.41575 10.741 6.41423 5.82366 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 7.82528 5.14627 4.69858 10.4988 4.97119 6.41575 6.41423 10.741 5.82366 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 8.78293 11.4401 5.31524 10.9543 4.97119 6.41423 10.741 6.41575 13.1234 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 8.78293 11.4401 10.9543 5.31524 4.97119 6.41423 6.41575 10.741 13.1234 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 8.23643 12.3093 11.0832 6.55187 4.97119 6.41423 10.741 6.41575 11.3136 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 8.23643 12.3093 6.55187 11.0832 4.97119 6.41423 6.41575 10.741 11.3136 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 7.82528 4.69858 10.4988 5.14627 4.97119 6.41423 10.741 6.41575 5.82366 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.82528 4.69858 5.14627 10.4988 4.97119 6.41423 6.41575 10.741 5.82366 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 8.10861 14.2075 16.3192 5.02241 5.06052 6.91765 10.1332 4.29856 6.14538 10.6808 10.4158 6.30987 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 6.83299 8.10861 14.2075 9.5589 5.08001 16.3192 5.02241 5.06052 10.1332 6.91765 4.29856 6.14538 10.4158 10.6808 6.30987 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 9.58673 5.92889 10.2241 7.05413 5.78774 9.92355 5.93884 7.68678 13.7654 numMergedOcc 0
15 mol 58 unq 0 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 9.58673 5.92889 7.05413 10.2241 5.78774 9.92355 7.68678 5.93884 13.7654 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 9.58673 10.2241 5.92889 7.05413 5.78774 5.93884 9.92355 7.68678 13.7654 numMergedOcc 0
17 mol 58 unq 1 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 9.58673 10.2241 7.05413 5.92889 5.78774 5.93884 7.68678 9.92355 13.7654 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 9.58673 7.05413 5.92889 10.2241 5.78774 7.68678 9.92355 5.93884 13.7654 numMergedOcc 0
19 mol 58 unq 2 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 9.58673 7.05413 10.2241 5.92889 5.78774 7.68678 5.93884 9.92355 13.7654 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 8.70133 7.41074 13.4082 15.9882 5.11416 9.24757 13.8696 13.0145 7.10439 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 8.70133 7.41074 15.9882 13.4082 5.11416 9.24757 13.0145 13.8696 7.10439 numMergedOcc 0
22 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 8.59017 10.4899 7.00674 5.15851 10.0425 11.8774 10.0372 11.4997 9.81166 14.6043 18.7078 13.1026 numMergedOcc 0
23 mol 75 unq 0 iso 1 dist 7.79912 8.59017 10.4899 8.56639 5.64643 7.00674 5.15851 10.0425 10.0372 11.8774 11.4997 9.81166 18.7078 14.6043 13.1026 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 7.22293 7.98917 11.6116 6.47779 13.5116 9.82915 12.0078 14.4382 10.0297 numMergedOcc 0
25 mol 85 unq 0 iso 1 dist 7.47541 5.73196 6.87425 7.66905 5.42586 10.1164 7.22293 7.98917 6.47779 11.6116 13.5116 9.82915 14.4382 12.0078 10.0297 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 7.22293 11.6116 7.98917 6.47779 4.65335 7.54568 10.0796 9.39864 11.8261 numMergedOcc 0
27 mol 85 unq 1 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 7.22293 11.6116 6.47779 7.98917 4.65335 7.54568 9.39864 10.0796 11.8261 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 5.73196 7.47541 6.87425 7.66905 10.1164 5.42586 7.22293 6.47779 7.98917 11.6116 4.65335 9.39864 10.0796 7.54568 11.8261 numMergedOcc 0
29 mol 85 unq 2 iso 1 dist 5.73196 7.66905 10.1164 7.47541 6.87425 5.42586 7.22293 6.47779 11.6116 7.98917 4.65335 9.39864 7.54568 10.0796 11.8261 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 9.35224 8.87654 7.80879 6.58204 5.01145 10.9608 5.69137 10.6848 7.10378 14.8081 15.2289 11.9163 numMergedOcc 0
31 mol 100 unq 0 iso 1 dist 7.17106 9.35224 8.87654 9.60661 11.5403 7.80879 6.58204 5.01145 5.69137 10.9608 10.6848 7.10378 15.2289 14.8081 11.9163 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 8.72704 10.1589 7.2495 15.9331 12.2861 8.30845 10.6086 18.1777 9.44658 numMergedOcc 0
33 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 8.72704 10.1589 15.9331 7.2495 12.2861 8.30845 18.1777 10.6086 9.44658 numMergedOcc 0
34 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 8.72704 10.1589 7.2495 15.9331 15.5385 8.76378 13.2102 14.0386 18.5425 numMergedOcc 0
35 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 8.72704 10.1589 15.9331 7.2495 15.5385 8.76378 14.0386 13.2102 18.5425 numMergedOcc 0
36 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 7.75343 15.209 10.9608 5.69137 11.2312 7.38135 15.4031 17.2419 18.081 numMergedOcc 0
37 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 7.75343 15.209 5.69137 10.9608 11.2312 7.38135 17.2419 15.4031 18.081 numMergedOcc 0
38 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 7.75343 15.209 10.9608 9.21622 11.2312 7.38135 15.4031 19.8941 18.081 numMergedOcc 0
39 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 7.75343 15.209 9.21622 10.9608 11.2312 7.38135 19.8941 15.4031 18.081 numMergedOcc 0
40 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 7.75343 15.209 5.69137 9.21622 11.2312 7.38135 17.2419 19.8941 18.081 numMergedOcc 0
41 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 7.75343 15.209 9.21622 5.69137 11.2312 7.38135 19.8941 17.2419 18.081 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 6.27641 7.29758 8.67156 4.53931 5.4555 9.44367 7.90267 10.3379 5.81122 numMergedOcc 0
43 mol 156 unq 0 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 6.27641 7.29758 4.53931 8.67156 5.4555 9.44367 10.3379 7.90267 5.81122 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 6.27641 7.29758 8.67156 4.53931 11.9952 9.47433 14.7758 13.0431 13.7525 numMergedOcc 0
45 mol 156 unq 1 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 6.27641 7.29758 4.53931 8.67156 11.9952 9.47433 13.0431 14.7758 13.7525 numMergedOcc 0
46 mol 156 unq 2 iso 0 dist 8.94056 7.44554 5.56175 9.83699 11.2719 8.38403 6.27641 8.67156 7.29758 4.53931 5.4555 7.90267 9.44367 10.3379 5.81122 numMergedOcc 0
47 mol 156 unq 2 iso 1 dist 8.94056 9.83699 11.2719 7.44554 5.56175 8.38403 6.27641 8.67156 4.53931 7.29758 5.4555 7.90267 10.3379 9.44367 5.81122 numMergedOcc 0
48 mol 175 unq 0 iso 0 dist 6.57069 9.0018 8.16421 5.6234 5.35493 6.2715 9.8589 7.5414 8.22779 10.5631 8.29015 9.77896 10.4182 11.6765 5.4997 numMergedOcc 0
49 mol 175 unq 0 iso 1 dist 6.57069 5.6234 5.35493 9.0018 8.16421 6.2715 9.8589 7.5414 10.5631 8.22779 8.29015 9.77896 11.6765 10.4182 5.4997 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 6.94688 6.25083 5.86342 6.80228 6.6251 6.2479 7.99195 12.8533 9.06217 numMergedOcc 0
51 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 6.94688 6.25083 6.80228 5.86342 6.6251 6.2479 12.8533 7.99195 9.06217 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 6.71012 4.77278 9.14057 11.6919 6.6251 6.2479 7.99195 12.8533 7.13252 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 6.71012 4.77278 11.6919 9.14057 6.6251 6.2479 12.8533 7.99195 7.13252 numMergedOcc 0
54 mol 181 unq 2 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.94688 5.86342 6.25083 6.80228 5.6044 9.72611 14.2254 10.428 10.3766 numMergedOcc 0
55 mol 181 unq 2 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.94688 5.86342 6.80228 6.25083 5.6044 9.72611 10.428 14.2254 10.3766 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.94688 5.86342 6.25083 6.80228 6.6251 7.99195 6.2479 12.8533 9.06217 numMergedOcc 0
57 mol 181 unq 3 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.94688 5.86342 6.80228 6.25083 6.6251 7.99195 12.8533 6.2479 9.06217 numMergedOcc 0
58 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.71012 9.14057 4.77278 11.6919 5.6044 9.72611 14.2254 10.428 10.7723 numMergedOcc 0
59 mol 181 unq 4 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.71012 9.14057 11.6919 4.77278 5.6044 9.72611 10.428 14.2254 10.7723 numMergedOcc 0
60 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.71012 9.14057 4.77278 11.6919 6.6251 7.99195 6.2479 12.8533 7.13252 numMergedOcc 0
61 mol 181 unq 5 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.71012 9.14057 11.6919 4.77278 6.6251 7.99195 12.8533 6.2479 7.13252 numMergedOcc 0
62 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 9.19704 6.23291 8.66809 13.231 10.3603 5.44002 12.3113 17.9798 10.5073 numMergedOcc 0
63 mol 205 unq 0 iso 1 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 9.19704 6.23291 13.231 8.66809 10.3603 5.44002 17.9798 12.3113 10.5073 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 7.48005 11.6195 11.8736 5.79468 8.81835 7.98231 11.6972 7.08526 8.71497 numMergedOcc 0
65 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 7.48005 11.6195 5.79468 11.8736 8.81835 7.98231 7.08526 11.6972 8.71497 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 7.48005 11.6195 11.8736 12.6649 8.81835 7.98231 11.6972 15.8414 8.71497 numMergedOcc 0
67 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 7.48005 11.6195 12.6649 11.8736 8.81835 7.98231 15.8414 11.6972 8.71497 numMergedOcc 0
68 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 7.48005 11.6195 5.79468 12.6649 8.81835 7.98231 7.08526 15.8414 8.71497 numMergedOcc 0
69 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 7.48005 11.6195 12.6649 5.79468 8.81835 7.98231 15.8414 7.08526 8.71497 numMergedOcc 0
70 mol 259 unq 2 iso 0 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 7.48005 5.79468 11.6195 11.8736 8.81835 7.08526 7.98231 11.6972 8.71497 numMergedOcc 0
71 mol 259 unq 2 iso 1 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 7.48005 5.79468 11.8736 11.6195 8.81835 7.08526 11.6972 7.98231 8.71497 numMergedOcc 0
72 mol 259 unq 3 iso 0 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 7.48005 5.79468 11.6195 12.6649 8.81835 7.08526 7.98231 15.8414 8.71497 numMergedOcc 0
73 mol 259 unq 3 iso 1 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 7.48005 5.79468 12.6649 11.6195 8.81835 7.08526 15.8414 7.98231 8.71497 numMergedOcc 0
74 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 7.48005 5.79468 11.8736 12.6649 8.81835 7.08526 11.6972 15.8414 8.71497 numMergedOcc 0
75 mol 259 unq 3 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 7.48005 5.79468 12.6649 11.8736 8.81835 7.08526 15.8414 11.6972 8.71497 numMergedOcc 0
