0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.28925 10.6847 7.58143 13.2247 12.2333 9.36807 8.70159 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 8.70159 4.87279 7.58143 13.2247 10.5461 6.36911 6.28925 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 8.23643 11.0832 7.97324 6.63929 7.24362 5.03957 12.1187 8.73972 10.9181 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 7.97324 6.63929 13.3417 10.8007 15.679 6.00439 17.7961 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 7.97324 6.63929 13.3417 7.67038 10.4091 6.20943 14.6813 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 7.97324 8.33878 7.24362 5.03957 7.82074 8.73972 10.9181 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 7.97324 8.33878 13.3417 10.8007 9.78944 6.00439 17.7961 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 7.97324 8.33878 13.3417 7.67038 8.4674 6.20943 14.6813 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 6.864 8.23643 12.3093 7.97324 11.8689 7.24362 5.03957 11.0366 8.73972 10.9181 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 6.864 7.82528 4.69858 7.97324 11.8689 13.3417 10.8007 9.56313 6.00439 17.7961 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 6.864 7.82528 4.69858 7.97324 11.8689 13.3417 7.67038 4.51865 6.20943 14.6813 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 8.96978 8.39969 6.33215 5.36766 12.8385 8.624 11.9307 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 8.96978 4.45372 6.33215 5.36766 10.8086 8.624 11.9307 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.33919 15.9091 13.2106 7.4697 8.9232 5.64598 15.1135 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.38498 8.70133 13.4082 9.33919 15.9091 13.2106 5.4148 10.2049 4.65521 9.79143 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 9.96396 8.70133 7.41074 9.33919 7.9151 13.2106 7.4697 11.4799 5.64598 15.1135 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 9.96396 8.70133 7.41074 9.33919 7.9151 13.2106 5.4148 6.19304 4.65521 9.79143 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 5.4148 9.96396 8.70133 9.33919 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 5.7113 11.4799 5.64598 15.1135 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 9.75218 8.70133 15.9882 9.33919 5.44172 13.2106 7.4697 16.0453 5.64598 15.1135 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 9.75218 8.70133 15.9882 9.33919 5.44172 13.2106 5.4148 11.6369 4.65521 9.79143 numMergedOcc 0
21 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 7.16975 7.09323 6.23298 9.02771 11.673 6.33365 10.7441 numMergedOcc 0
22 mol 75 unq 1 iso 0 dist 8.56639 5.15851 11.8774 7.16975 7.92499 6.23298 9.02771 15.657 6.33365 10.7441 numMergedOcc 0
23 mol 75 unq 2 iso 0 dist 8.59017 5.15851 10.0372 7.16975 6.68962 6.23298 9.02771 15.872 6.33365 10.7441 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.30021 10.4545 4.59398 6.9948 7.47541 7.22293 5.62635 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 5.62635 10.4545 4.59398 6.9948 7.97049 9.47876 9.30021 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 7.47541 7.22293 7.98917 7.07868 9.87083 10.755 6.9948 7.97049 9.47876 13.5621 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 6.19965 9.47876 11.6116 9.30021 12.3178 4.59398 6.9948 7.66905 7.22293 5.62635 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 7.66905 7.22293 11.6116 5.62635 12.3178 4.59398 6.9948 6.19965 9.47876 9.30021 numMergedOcc 0
29 mol 85 unq 5 iso 0 dist 7.66905 7.22293 11.6116 7.07868 11.3372 10.755 6.9948 6.19965 9.47876 13.5621 numMergedOcc 0
30 mol 85 unq 6 iso 0 dist 5.73196 7.22293 6.47779 5.62635 7.43006 4.59398 6.9948 11.2656 9.47876 9.30021 numMergedOcc 0
31 mol 85 unq 7 iso 0 dist 5.73196 7.22293 6.47779 7.07868 4.60756 10.755 6.9948 11.2656 9.47876 13.5621 numMergedOcc 0
32 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 8.2236 10.0324 6.37061 7.22206 16.5575 7.63616 11.3487 numMergedOcc 0
33 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 8.2236 11.1062 6.37061 7.22206 7.83136 7.63616 11.3487 numMergedOcc 0
34 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 5.72373 10.2773 4.98036 11.279 19.0925 6.192 10.4231 numMergedOcc 0
35 mol 127 unq 1 iso 0 dist 8.14887 8.59981 14.9761 5.72373 10.2773 4.98036 11.4958 18.4772 7.69308 11.0323 numMergedOcc 0
36 mol 127 unq 2 iso 0 dist 8.14887 8.59981 14.9761 5.72373 10.2773 4.98036 5.55757 12.8743 7.66331 7.20988 numMergedOcc 0
37 mol 127 unq 3 iso 0 dist 8.14887 7.34519 7.41404 5.72373 10.2773 8.57565 5.55757 12.8743 8.58999 7.20988 numMergedOcc 0
38 mol 127 unq 4 iso 0 dist 8.14887 7.34519 7.41404 5.72373 10.2773 8.57565 6.16471 11.3474 6.63981 9.76203 numMergedOcc 0
39 mol 127 unq 5 iso 0 dist 9.30299 8.59981 14.085 5.72373 10.7123 4.98036 11.279 17.6472 6.192 10.4231 numMergedOcc 0
40 mol 127 unq 6 iso 0 dist 9.30299 8.59981 14.085 5.72373 10.7123 4.98036 11.4958 15.0647 7.69308 11.0323 numMergedOcc 0
41 mol 127 unq 7 iso 0 dist 9.30299 8.59981 14.085 5.72373 10.7123 4.98036 5.55757 14.7391 7.66331 7.20988 numMergedOcc 0
42 mol 127 unq 8 iso 0 dist 9.30299 7.34519 13.1312 5.72373 10.7123 8.57565 5.55757 14.7391 8.58999 7.20988 numMergedOcc 0
43 mol 127 unq 9 iso 0 dist 9.30299 7.34519 13.1312 5.72373 10.7123 8.57565 6.16471 14.9565 6.63981 9.76203 numMergedOcc 0
44 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 7.19937 10.8443 6.73645 4.35917 11.5751 7.61505 10.0208 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 7.72403 10.3378 6.81789 5.88703 12.9605 7.85175 6.35438 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 6.56247 6.25105 11.216 7.72403 8.83842 6.81789 5.88703 9.45496 7.85175 6.35438 numMergedOcc 0
47 mol 234 unq 2 iso 0 dist 9.36357 6.25105 11.4315 7.72403 5.43327 6.81789 5.88703 6.7625 7.85175 6.35438 numMergedOcc 0
48 mol 234 unq 3 iso 0 dist 9.45496 7.85175 11.216 6.35438 8.83842 6.81789 5.88703 6.56247 6.25105 7.72403 numMergedOcc 0
49 mol 234 unq 4 iso 0 dist 6.7625 7.85175 11.4315 6.35438 5.43327 6.81789 5.88703 9.36357 6.25105 7.72403 numMergedOcc 0
50 mol 256 unq 0 iso 0 dist 8.29103 5.24676 4.22352 9.72168 12.0476 9.71947 9.92128 11.4761 8.09363 13.8145 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 7.64122 10.1317 5.15985 12.5353 15.9169 8.37865 13.38 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 7.64122 8.53114 5.15985 12.5353 18.2309 8.37865 13.38 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 7.64122 4.63899 5.15985 12.5353 11.858 8.37865 13.38 numMergedOcc 0
54 mol 259 unq 3 iso 0 dist 9.18903 7.48005 12.6649 7.64122 8.41812 5.15985 12.5353 20.3294 8.37865 13.38 numMergedOcc 0
