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 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.72491 8.72114 10.1959 6.34041 11.024 6.14469 10.5461 10.2446 5.03847 9.68596 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 8.50424 8.076 7.35972 15.1483 11.0722 16.147 9.62394 numMergedOcc 0
3 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 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 14.896 8.74199 6.02809 6.55811 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 13.3648 10.9454 4.98827 8.64915 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 9.78006 9.62394 7.28672 19.4709 14.8012 9.93542 14.896 8.74199 6.02809 7.36018 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 9.78006 9.62394 7.28672 19.4709 14.8012 9.93542 13.3648 10.9454 4.98827 8.17347 numMergedOcc 0
8 mol 9 unq 6 iso 0 dist 7.9944 6.55811 4.58685 6.02809 6.32226 7.35972 14.896 14.814 16.147 9.62394 numMergedOcc 0
9 mol 9 unq 7 iso 0 dist 7.9944 7.36018 5.83039 6.02809 6.32226 9.93542 14.896 14.814 19.4709 9.62394 numMergedOcc 0
10 mol 9 unq 8 iso 0 dist 7.032 8.64915 4.58685 4.98827 6.32226 7.35972 13.3648 14.814 16.147 9.62394 numMergedOcc 0
11 mol 9 unq 9 iso 0 dist 7.032 8.17347 5.83039 4.98827 6.32226 9.93542 13.3648 14.814 19.4709 9.62394 numMergedOcc 0
12 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 numMergedOcc 0
13 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 6.864 9.47529 7.08342 6.41423 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 4.32034 9.69752 8.00171 6.86014 6.00575 6.66749 7.33768 numMergedOcc 0
15 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 8.67951 12.7806 4.2121 6.86014 6.00575 6.66749 9.01567 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 15.5324 17.4067 12.176 8.4051 numMergedOcc 0
17 mol 24 unq 3 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 6.86014 6.00575 6.66749 7.29868 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 8.86116 5.97304 14.012 8.60554 numMergedOcc 0
19 mol 24 unq 5 iso 0 dist 6.72502 8.60554 6.99746 14.012 11.5841 6.72323 8.86116 6.58998 8.52463 9.41441 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 6.72502 8.60554 6.99746 14.012 11.5841 6.72323 13.2433 9.48345 5.11617 6.73939 numMergedOcc 0
21 mol 24 unq 7 iso 0 dist 4.93188 6.73939 10.0715 4.50066 8.78859 4.2121 11.0194 12.0003 6.66749 9.01567 numMergedOcc 0
22 mol 24 unq 8 iso 0 dist 4.93188 6.73939 10.0715 11.9112 14.7684 8.00171 11.0194 12.0003 6.66749 7.33768 numMergedOcc 0
23 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 5.54419 4.33963 12.176 8.4051 numMergedOcc 0
24 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 11.0194 12.0003 6.66749 7.29868 numMergedOcc 0
25 mol 24 unq 11 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 13.2433 11.2106 14.012 8.60554 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 numMergedOcc 0
27 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 numMergedOcc 0
28 mol 25 unq 2 iso 0 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 7.17969 10.1525 10.8498 7.55264 numMergedOcc 0
29 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 numMergedOcc 0
30 mol 25 unq 4 iso 0 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 12.7009 15.572 9.34396 8.50222 numMergedOcc 0
31 mol 25 unq 5 iso 0 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 12.8117 16.7731 10.8498 7.55264 numMergedOcc 0
32 mol 25 unq 6 iso 0 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 5.04899 9.20601 13.9331 8.87757 numMergedOcc 0
33 mol 25 unq 7 iso 0 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 12.7009 15.572 10.5328 8.50222 numMergedOcc 0
34 mol 25 unq 8 iso 0 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 12.8117 16.7731 10.4337 7.55264 numMergedOcc 0
35 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 numMergedOcc 0
36 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 numMergedOcc 0
37 mol 98 unq 2 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 10.1136 7.17433 12.0974 5.65185 numMergedOcc 0
38 mol 129 unq 0 iso 0 dist 8.03372 9.36851 6.84211 4.55551 9.94578 9.73158 5.83384 6.67948 10.7293 6.28565 numMergedOcc 0
39 mol 129 unq 1 iso 0 dist 8.03372 4.97175 4.53459 4.55551 9.94578 7.59327 5.83384 6.67948 7.29399 6.28565 numMergedOcc 0
40 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 numMergedOcc 0
41 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 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 12.5075 15.2647 14.9876 9.94764 numMergedOcc 0
43 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 5.81563 12.9107 8.21184 11.6719 16.0482 10.8404 9.00416 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 7.73169 7.30357 8.40261 5.52796 10.6978 5.41575 10.2717 7.7635 6.14767 8.73722 numMergedOcc 0
45 mol 156 unq 2 iso 0 dist 7.73169 8.61587 12.8796 5.81563 12.9107 5.9976 11.6719 16.0482 5.18356 9.00416 numMergedOcc 0
46 mol 156 unq 3 iso 0 dist 7.73169 8.61587 12.8796 5.52796 10.6978 6.86566 10.2717 7.7635 12.212 8.73722 numMergedOcc 0
47 mol 156 unq 4 iso 0 dist 5.38091 7.30357 12.4049 5.81563 7.46845 8.21184 11.6719 12.962 10.8404 9.00416 numMergedOcc 0
48 mol 156 unq 5 iso 0 dist 5.38091 7.30357 12.4049 5.52796 9.59889 5.41575 10.2717 15.5638 6.14767 8.73722 numMergedOcc 0
49 mol 156 unq 6 iso 0 dist 5.38091 8.61587 11.7015 5.81563 7.46845 5.9976 11.6719 12.962 5.18356 9.00416 numMergedOcc 0
50 mol 156 unq 7 iso 0 dist 5.38091 8.61587 11.7015 5.52796 9.59889 6.86566 10.2717 15.5638 12.212 8.73722 numMergedOcc 0
51 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.9651 11.4752 5.25109 14.9792 16.6337 11.5561 9.61462 numMergedOcc 0
52 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 7.9651 11.4752 8.21618 14.9792 16.6337 10.844 9.61462 numMergedOcc 0
53 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 12.6853 11.4752 5.25109 16.2078 16.6337 11.5561 9.61462 numMergedOcc 0
54 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 12.6853 11.4752 8.21618 16.2078 16.6337 10.844 9.61462 numMergedOcc 0
55 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 numMergedOcc 0
56 mol 232 unq 1 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 8.27212 8.25884 8.80479 9.40808 numMergedOcc 0
57 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 numMergedOcc 0
58 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 numMergedOcc 0
59 mol 238 unq 2 iso 0 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 10.7456 12.6097 7.95232 8.67864 numMergedOcc 0
60 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 numMergedOcc 0
61 mol 274 unq 1 iso 0 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 11.3168 10.4342 6.16703 6.39866 numMergedOcc 0
62 mol 274 unq 2 iso 0 dist 8.49922 9.85289 11.9754 5.29529 10.4781 6.88827 7.56915 9.27829 6.20558 8.52587 numMergedOcc 0
63 mol 274 unq 3 iso 0 dist 8.49922 9.85289 11.9754 5.29529 10.4781 6.88827 11.3168 15.627 6.16703 6.39866 numMergedOcc 0
