0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 6.34041 11.024 6.14469 11.0773 14.6803 8.43473 6.7985 10.5461 10.2446 5.03847 9.68596 9.0379 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 5.72491 8.72114 10.1959 6.34041 11.024 6.14469 10.5461 10.2446 5.03847 9.68596 11.0773 14.6803 8.43473 6.7985 9.0379 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 15.1483 6.119 8.50424 7.32257 14.896 8.74199 6.02809 6.55811 6.14147 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 14.896 8.74199 6.02809 6.55811 15.1483 6.119 8.50424 7.32257 6.14147 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 15.1483 6.119 8.50424 7.32257 13.3648 10.9454 4.98827 8.64915 10.5747 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 13.3648 10.9454 4.98827 8.64915 15.1483 6.119 8.50424 7.32257 10.5747 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 14.896 8.74199 6.02809 6.55811 13.3648 10.9454 4.98827 8.64915 5.06358 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 13.3648 10.9454 4.98827 8.64915 14.896 8.74199 6.02809 6.55811 5.06358 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 9.78006 9.62394 7.28672 19.4709 14.8012 9.93542 14.896 8.74199 6.02809 7.36018 13.3648 10.9454 4.98827 8.17347 5.06358 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 9.78006 9.62394 7.28672 19.4709 14.8012 9.93542 13.3648 10.9454 4.98827 8.17347 14.896 8.74199 6.02809 7.36018 5.06358 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 4.54938 5.18512 9.74255 6.41575 6.864 9.47529 7.08342 6.41423 5.80928 numMergedOcc 0
11 mol 19 unq 0 iso 1 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 6.864 9.47529 7.08342 6.41423 4.54938 5.18512 9.74255 6.41575 5.80928 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 15.5324 17.4067 12.176 8.4051 6.86014 6.00575 6.66749 7.29868 15.5315 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 6.86014 6.00575 6.66749 7.29868 15.5324 17.4067 12.176 8.4051 15.5315 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 15.5324 17.4067 12.176 8.4051 8.86116 5.97304 14.012 8.60554 14.6259 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 8.86116 5.97304 14.012 8.60554 15.5324 17.4067 12.176 8.4051 14.6259 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 6.86014 6.00575 6.66749 7.29868 8.86116 5.97304 14.012 8.60554 10.0952 numMergedOcc 0
17 mol 24 unq 1 iso 1 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 8.86116 5.97304 14.012 8.60554 6.86014 6.00575 6.66749 7.29868 10.0952 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 14.012 11.5841 6.72323 8.86116 6.58998 8.52463 9.41441 13.2433 9.48345 5.11617 6.73939 11.4989 numMergedOcc 0
19 mol 24 unq 2 iso 1 dist 6.72502 8.60554 6.99746 14.012 11.5841 6.72323 13.2433 9.48345 5.11617 6.73939 8.86116 6.58998 8.52463 9.41441 11.4989 numMergedOcc 0
20 mol 24 unq 3 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 5.54419 4.33963 12.176 8.4051 11.0194 12.0003 6.66749 7.29868 15.5315 numMergedOcc 0
21 mol 24 unq 3 iso 1 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 11.0194 12.0003 6.66749 7.29868 5.54419 4.33963 12.176 8.4051 15.5315 numMergedOcc 0
22 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 5.54419 4.33963 12.176 8.4051 13.2433 11.2106 14.012 8.60554 14.6259 numMergedOcc 0
23 mol 24 unq 4 iso 1 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 13.2433 11.2106 14.012 8.60554 5.54419 4.33963 12.176 8.4051 14.6259 numMergedOcc 0
24 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 11.0194 12.0003 6.66749 7.29868 13.2433 11.2106 14.012 8.60554 10.0952 numMergedOcc 0
25 mol 24 unq 4 iso 1 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 13.2433 11.2106 14.012 8.60554 11.0194 12.0003 6.66749 7.29868 10.0952 numMergedOcc 0
26 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 11.9561 17.9006 7.33728 8.87757 7.57578 9.36158 9.34396 8.50222 15.5644 numMergedOcc 0
27 mol 25 unq 0 iso 1 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 7.57578 9.36158 9.34396 8.50222 11.9561 17.9006 7.33728 8.87757 15.5644 numMergedOcc 0
28 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 11.9561 17.9006 7.33728 8.87757 7.17969 10.1525 10.8498 7.55264 16.1048 numMergedOcc 0
29 mol 25 unq 1 iso 1 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 7.17969 10.1525 10.8498 7.55264 11.9561 17.9006 7.33728 8.87757 16.1048 numMergedOcc 0
30 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 7.57578 9.36158 9.34396 8.50222 7.17969 10.1525 10.8498 7.55264 4.33106 numMergedOcc 0
31 mol 25 unq 1 iso 1 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 7.17969 10.1525 10.8498 7.55264 7.57578 9.36158 9.34396 8.50222 4.33106 numMergedOcc 0
32 mol 25 unq 2 iso 0 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 5.04899 9.20601 7.33728 8.87757 12.7009 15.572 9.34396 8.50222 15.5644 numMergedOcc 0
33 mol 25 unq 2 iso 1 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 12.7009 15.572 9.34396 8.50222 5.04899 9.20601 7.33728 8.87757 15.5644 numMergedOcc 0
34 mol 25 unq 3 iso 0 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 5.04899 9.20601 7.33728 8.87757 12.8117 16.7731 10.8498 7.55264 16.1048 numMergedOcc 0
35 mol 25 unq 3 iso 1 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 12.8117 16.7731 10.8498 7.55264 5.04899 9.20601 7.33728 8.87757 16.1048 numMergedOcc 0
36 mol 25 unq 3 iso 0 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 12.7009 15.572 9.34396 8.50222 12.8117 16.7731 10.8498 7.55264 4.33106 numMergedOcc 0
37 mol 25 unq 3 iso 1 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 12.8117 16.7731 10.8498 7.55264 12.7009 15.572 9.34396 8.50222 4.33106 numMergedOcc 0
38 mol 25 unq 4 iso 0 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 5.04899 9.20601 13.9331 8.87757 12.7009 15.572 10.5328 8.50222 15.5644 numMergedOcc 0
39 mol 25 unq 4 iso 1 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 12.7009 15.572 10.5328 8.50222 5.04899 9.20601 13.9331 8.87757 15.5644 numMergedOcc 0
40 mol 25 unq 5 iso 0 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 5.04899 9.20601 13.9331 8.87757 12.8117 16.7731 10.4337 7.55264 16.1048 numMergedOcc 0
41 mol 25 unq 5 iso 1 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 12.8117 16.7731 10.4337 7.55264 5.04899 9.20601 13.9331 8.87757 16.1048 numMergedOcc 0
42 mol 25 unq 5 iso 0 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 12.7009 15.572 10.5328 8.50222 12.8117 16.7731 10.4337 7.55264 4.33106 numMergedOcc 0
43 mol 25 unq 5 iso 1 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 12.8117 16.7731 10.4337 7.55264 12.7009 15.572 10.5328 8.50222 4.33106 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 5.08437 7.32662 4.4057 6.7117 6.10456 6.934 9.67482 4.47349 8.40073 numMergedOcc 0
45 mol 98 unq 0 iso 1 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 6.10456 6.934 9.67482 4.47349 5.08437 7.32662 4.4057 6.7117 8.40073 numMergedOcc 0
46 mol 98 unq 1 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 5.08437 7.32662 4.4057 6.7117 10.1136 7.17433 12.0974 5.65185 10.2427 numMergedOcc 0
47 mol 98 unq 1 iso 1 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 10.1136 7.17433 12.0974 5.65185 5.08437 7.32662 4.4057 6.7117 10.2427 numMergedOcc 0
48 mol 98 unq 1 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 6.10456 6.934 9.67482 4.47349 10.1136 7.17433 12.0974 5.65185 5.02887 numMergedOcc 0
49 mol 98 unq 1 iso 1 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 10.1136 7.17433 12.0974 5.65185 6.10456 6.934 9.67482 4.47349 5.02887 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 6.54501 5.35679 7.41674 7.69991 6.49416 8.46636 9.87376 6.23142 5.00526 numMergedOcc 0
51 mol 134 unq 0 iso 1 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 6.49416 8.46636 9.87376 6.23142 6.54501 5.35679 7.41674 7.69991 5.00526 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 6.54501 5.35679 7.41674 7.69991 12.5075 15.2647 14.9876 9.94764 11.3271 numMergedOcc 0
53 mol 134 unq 1 iso 1 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 12.5075 15.2647 14.9876 9.94764 6.54501 5.35679 7.41674 7.69991 11.3271 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 6.49416 8.46636 9.87376 6.23142 12.5075 15.2647 14.9876 9.94764 6.81259 numMergedOcc 0
55 mol 134 unq 1 iso 1 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 12.5075 15.2647 14.9876 9.94764 6.49416 8.46636 9.87376 6.23142 6.81259 numMergedOcc 0
56 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 10.5803 5.8023 12.3508 8.50102 8.27212 8.25884 8.80479 9.40808 6.56633 numMergedOcc 0
57 mol 232 unq 0 iso 1 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 8.27212 8.25884 8.80479 9.40808 10.5803 5.8023 12.3508 8.50102 6.56633 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 13.9668 15.1481 5.50308 8.94014 12.8275 15.6304 7.11984 7.02333 5.6348 numMergedOcc 0
59 mol 238 unq 0 iso 1 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 12.8275 15.6304 7.11984 7.02333 13.9668 15.1481 5.50308 8.94014 5.6348 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 13.9668 15.1481 5.50308 8.94014 10.7456 12.6097 7.95232 8.67864 8.87326 numMergedOcc 0
61 mol 238 unq 1 iso 1 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 10.7456 12.6097 7.95232 8.67864 13.9668 15.1481 5.50308 8.94014 8.87326 numMergedOcc 0
62 mol 238 unq 1 iso 0 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 12.8275 15.6304 7.11984 7.02333 10.7456 12.6097 7.95232 8.67864 5.31152 numMergedOcc 0
63 mol 238 unq 1 iso 1 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 10.7456 12.6097 7.95232 8.67864 12.8275 15.6304 7.11984 7.02333 5.31152 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 7.56915 5.90436 6.20558 8.52587 11.3168 10.4342 6.16703 6.39866 11.3308 numMergedOcc 0
65 mol 274 unq 0 iso 1 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 11.3168 10.4342 6.16703 6.39866 7.56915 5.90436 6.20558 8.52587 11.3308 numMergedOcc 0
66 mol 274 unq 1 iso 0 dist 8.49922 9.85289 11.9754 5.29529 10.4781 6.88827 7.56915 9.27829 6.20558 8.52587 11.3168 15.627 6.16703 6.39866 11.3308 numMergedOcc 0
67 mol 274 unq 1 iso 1 dist 8.49922 9.85289 11.9754 5.29529 10.4781 6.88827 11.3168 15.627 6.16703 6.39866 7.56915 9.27829 6.20558 8.52587 11.3308 numMergedOcc 0
