0 mol 24 unq 0 iso 0 dist 8.70141 12.8473 9.40479 10.3497 9.65174 13.3652 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.70141 4.36056 9.58012 10.3497 9.65174 6.79749 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.00593 8.01073 9.72965 13.3238 8.75468 7.39132 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.00593 8.01073 9.72965 10.4507 7.62989 5.28861 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.00593 8.01073 9.72965 3.45063 5.70238 6.94261 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 9.00593 8.57321 5.63315 13.3238 8.75468 13.2225 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 9.00593 8.57321 5.63315 10.4507 7.62989 12.3695 numMergedOcc 0
7 mol 28 unq 5 iso 0 dist 9.00593 8.57321 5.63315 3.45063 5.70238 6.33375 numMergedOcc 0
8 mol 28 unq 6 iso 0 dist 9.00593 11.0203 9.8465 13.3238 8.75468 10.8134 numMergedOcc 0
9 mol 28 unq 7 iso 0 dist 9.00593 11.0203 9.8465 10.4507 7.62989 11.956 numMergedOcc 0
10 mol 28 unq 8 iso 0 dist 9.00593 11.0203 9.8465 3.45063 5.70238 8.99305 numMergedOcc 0
11 mol 34 unq 0 iso 0 dist 7.27883 6.71712 8.63361 13.9292 9.31883 14.9872 numMergedOcc 0
12 mol 34 unq 1 iso 0 dist 7.27883 6.71712 8.63361 12.332 9.475 14.6661 numMergedOcc 0
13 mol 34 unq 2 iso 0 dist 7.27883 6.71712 8.63361 10.6903 8.34011 10.357 numMergedOcc 0
14 mol 34 unq 3 iso 0 dist 7.27883 6.71712 8.63361 7.10408 6.29842 4.465 numMergedOcc 0
15 mol 55 unq 0 iso 0 dist 8.37544 10.9801 6.13181 14.7907 9.63353 3.98123 numMergedOcc 0
16 mol 55 unq 1 iso 0 dist 4.92955 5.85716 6.13181 9.78016 9.63353 3.98123 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 6.53468 12.2874 8.58543 12.7709 8.59337 12.2331 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 6.53468 12.2874 8.58543 13.1304 7.66942 4.53496 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 5.90954 7.81776 8.58543 7.78675 8.59337 12.2331 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 5.90954 7.81776 8.58543 7.76917 7.66942 4.53496 numMergedOcc 0
21 mol 90 unq 0 iso 0 dist 7.86269 7.25581 7.51138 12.2776 9.08732 11.2933 numMergedOcc 0
22 mol 90 unq 1 iso 0 dist 7.86269 11.1561 9.86843 12.2776 9.08732 5.31762 numMergedOcc 0
23 mol 90 unq 2 iso 0 dist 7.86269 11.7919 6.86146 12.2776 9.08732 5.06489 numMergedOcc 0
24 mol 90 unq 3 iso 0 dist 7.86269 9.89859 8.83296 12.2776 9.08732 5.30747 numMergedOcc 0
25 mol 93 unq 0 iso 0 dist 8.42713 8.02579 5.51624 14.4533 6.46217 10.1484 numMergedOcc 0
26 mol 93 unq 1 iso 0 dist 8.42713 12.3147 7.8674 14.4533 6.46217 10.2139 numMergedOcc 0
27 mol 93 unq 2 iso 0 dist 8.21032 12.1011 5.51624 3.24551 6.46217 10.1484 numMergedOcc 0
28 mol 93 unq 3 iso 0 dist 8.21032 9.97789 7.8674 3.24551 6.46217 10.2139 numMergedOcc 0
29 mol 111 unq 0 iso 0 dist 9.82548 15.0098 8.77841 14.3069 4.72339 6.86082 numMergedOcc 0
30 mol 111 unq 1 iso 0 dist 9.82548 15.0098 8.77841 11.6056 6.48902 4.79593 numMergedOcc 0
31 mol 111 unq 2 iso 0 dist 9.82548 15.0098 8.77841 10.8119 7.21505 10.2571 numMergedOcc 0
32 mol 140 unq 0 iso 0 dist 7.85653 10.1665 6.98813 9.80482 8.3735 12.005 numMergedOcc 0
33 mol 140 unq 1 iso 0 dist 7.85653 5.62223 5.39314 9.80482 8.3735 4.77448 numMergedOcc 0
34 mol 140 unq 2 iso 0 dist 7.5639 5.62223 5.3573 9.80482 9.25342 4.77448 numMergedOcc 0
35 mol 147 unq 0 iso 0 dist 6.4752 6.96543 9.23528 11.3398 7.19893 9.20965 numMergedOcc 0
36 mol 147 unq 1 iso 0 dist 6.4752 6.96543 9.23528 6.78721 6.37938 4.60996 numMergedOcc 0
37 mol 159 unq 0 iso 0 dist 9.91132 8.14398 8.99983 3.55677 8.12238 5.64425 numMergedOcc 0
38 mol 162 unq 0 iso 0 dist 8.48559 5.61836 8.53374 10.5749 9.56342 9.586 numMergedOcc 0
39 mol 163 unq 0 iso 0 dist 9.3832 16.5085 7.3546 3.65465 7.69757 14.9976 numMergedOcc 0
40 mol 163 unq 1 iso 0 dist 6.0247 6.56076 7.3546 11.458 7.69757 14.9976 numMergedOcc 0
41 mol 163 unq 2 iso 0 dist 6.40873 9.55758 7.3546 9.56095 7.69757 14.9976 numMergedOcc 0
42 mol 163 unq 3 iso 0 dist 5.80513 3.64474 7.3546 5.5479 9.40912 6.08019 numMergedOcc 0
43 mol 175 unq 0 iso 0 dist 9.08628 14.8387 7.32419 16.2286 7.6741 6.41193 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 9.08628 11.9554 8.31961 16.2286 7.6741 10.568 numMergedOcc 0
45 mol 175 unq 2 iso 0 dist 8.35581 13.6171 7.32419 10.3387 7.6741 6.41193 numMergedOcc 0
46 mol 175 unq 3 iso 0 dist 8.35581 13.6238 8.31961 10.3387 7.6741 10.568 numMergedOcc 0
47 mol 175 unq 4 iso 0 dist 6.72569 10.2269 7.32419 7.28678 7.6741 6.41193 numMergedOcc 0
48 mol 175 unq 5 iso 0 dist 6.72569 10.4606 8.31961 7.28678 7.6741 10.568 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 9.93045 9.52773 8.12349 13.9439 9.12783 6.3786 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 9.6309 6.2347 9.06334 8.71194 6.62738 3.98561 numMergedOcc 0
51 mol 218 unq 1 iso 0 dist 9.6309 6.2347 9.06334 5.07361 7.13254 5.11748 numMergedOcc 0
52 mol 218 unq 2 iso 0 dist 9.86462 5.92515 8.22792 7.57188 5.4621 9.11917 numMergedOcc 0
53 mol 218 unq 3 iso 0 dist 9.86462 5.92515 8.22792 11.3371 8.91819 10.6889 numMergedOcc 0
54 mol 237 unq 0 iso 0 dist 9.80232 8.55836 7.31113 9.06943 9.61703 5.15592 numMergedOcc 0
55 mol 237 unq 1 iso 0 dist 9.80232 6.08522 9.84466 9.06943 9.61703 8.0982 numMergedOcc 0
56 mol 250 unq 0 iso 0 dist 9.43554 15.3306 9.60364 7.81555 7.5999 10.18 numMergedOcc 0
57 mol 250 unq 1 iso 0 dist 9.43554 15.3306 9.60364 9.41799 9.50976 8.13777 numMergedOcc 0
58 mol 250 unq 2 iso 0 dist 9.21681 14.1113 9.60364 16.7301 7.5999 10.18 numMergedOcc 0
59 mol 250 unq 3 iso 0 dist 9.21681 14.1113 9.60364 16.2129 9.50976 8.13777 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 8.28871 5.7394 5.74568 9.86659 8.78525 7.06901 numMergedOcc 0
61 mol 264 unq 1 iso 0 dist 7.94668 6.63115 5.74568 9.26671 8.78525 7.06901 numMergedOcc 0
62 mol 286 unq 0 iso 0 dist 7.77655 6.77784 5.91064 3.85003 7.43339 7.62289 numMergedOcc 0
