0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 14.9294 12.8912 8.13129 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.99338 4.99728 15.247 13.1231 9.07223 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.6994 8.13129 6.40255 14.9294 15.3236 9.99338 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.6994 8.13129 6.40255 7.19817 7.15528 9.07223 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.15528 9.07223 6.40255 15.247 15.3236 9.99338 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 7.15528 9.07223 6.40255 7.19817 9.6994 8.13129 numMergedOcc 0
6 mol 7 unq 0 iso 0 dist 9.60499 7.5706 10.5551 9.0379 10.6581 6.28925 numMergedOcc 0
7 mol 7 unq 1 iso 0 dist 9.60499 7.5706 10.5551 15.4949 18.3807 8.70159 numMergedOcc 0
8 mol 7 unq 2 iso 0 dist 8.41585 6.28925 10.6847 9.0379 16.7601 7.5706 numMergedOcc 0
9 mol 7 unq 3 iso 0 dist 8.41585 6.28925 10.6847 13.2247 12.2333 8.70159 numMergedOcc 0
10 mol 7 unq 4 iso 0 dist 7.10621 8.70159 4.87279 15.4949 11.0773 7.5706 numMergedOcc 0
11 mol 7 unq 5 iso 0 dist 7.10621 8.70159 4.87279 13.2247 10.5461 6.28925 numMergedOcc 0
12 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 5.17568 10.4158 8.63502 numMergedOcc 0
13 mol 15 unq 1 iso 0 dist 9.97507 7.876 8.20465 5.17568 6.82505 8.63502 numMergedOcc 0
14 mol 15 unq 2 iso 0 dist 6.82505 8.63502 8.20465 5.17568 9.97507 7.876 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 5.73819 8.92291 5.54797 5.06502 6.20293 6.79185 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 5.73819 8.92291 5.54797 5.89973 8.93915 8.37962 numMergedOcc 0
17 mol 43 unq 2 iso 0 dist 8.80331 6.79185 11.1338 5.06502 10.5523 8.92291 numMergedOcc 0
18 mol 43 unq 3 iso 0 dist 8.80331 6.79185 11.1338 6.45462 14.7803 8.37962 numMergedOcc 0
19 mol 43 unq 4 iso 0 dist 6.20293 6.79185 5.54797 5.06502 5.73819 8.92291 numMergedOcc 0
20 mol 43 unq 5 iso 0 dist 6.20293 6.79185 5.54797 6.45462 8.93915 8.37962 numMergedOcc 0
21 mol 43 unq 6 iso 0 dist 8.93915 8.37962 5.54797 5.89973 5.73819 8.92291 numMergedOcc 0
22 mol 43 unq 7 iso 0 dist 8.93915 8.37962 5.54797 6.45462 6.20293 6.79185 numMergedOcc 0
23 mol 54 unq 0 iso 0 dist 9.5589 7.56581 8.17454 5.08001 6.83299 9.22021 numMergedOcc 0
24 mol 54 unq 1 iso 0 dist 6.83299 9.22021 8.17454 5.08001 9.5589 7.56581 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 9.38498 9.33919 15.9091 5.4148 10.2049 9.79143 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.38498 9.33919 15.9091 14.9342 20.257 6.43377 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 9.96396 9.33919 7.9151 5.4148 6.19304 9.79143 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 9.96396 9.33919 7.9151 14.9342 8.70481 6.43377 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 6.19304 9.79143 7.9151 5.4148 9.96396 9.33919 numMergedOcc 0
30 mol 73 unq 5 iso 0 dist 6.19304 9.79143 7.9151 13.3558 8.70481 6.43377 numMergedOcc 0
31 mol 73 unq 6 iso 0 dist 8.70481 6.43377 7.9151 14.9342 9.96396 9.33919 numMergedOcc 0
32 mol 73 unq 7 iso 0 dist 8.70481 6.43377 7.9151 13.3558 6.19304 9.79143 numMergedOcc 0
33 mol 73 unq 8 iso 0 dist 9.75218 9.33919 5.44172 5.4148 11.6369 9.79143 numMergedOcc 0
34 mol 73 unq 9 iso 0 dist 9.75218 9.33919 5.44172 14.9342 10.1207 6.43377 numMergedOcc 0
35 mol 85 unq 0 iso 0 dist 7.97049 9.30021 10.4545 6.9948 7.47541 5.62635 numMergedOcc 0
36 mol 85 unq 1 iso 0 dist 7.47541 5.62635 10.4545 6.9948 7.97049 9.30021 numMergedOcc 0
37 mol 85 unq 2 iso 0 dist 6.19965 9.30021 12.3178 6.9948 7.66905 5.62635 numMergedOcc 0
38 mol 85 unq 3 iso 0 dist 7.66905 5.62635 12.3178 6.9948 6.19965 9.30021 numMergedOcc 0
39 mol 85 unq 4 iso 0 dist 5.73196 5.62635 7.43006 6.9948 11.2656 9.30021 numMergedOcc 0
40 mol 86 unq 0 iso 0 dist 9.5497 6.81209 7.71512 12.6999 15.0892 7.73058 numMergedOcc 0
41 mol 86 unq 1 iso 0 dist 9.5497 6.81209 7.71512 7.03817 15.0261 8.54122 numMergedOcc 0
42 mol 88 unq 0 iso 0 dist 9.36773 6.066 6.81076 5.57085 8.31336 9.36032 numMergedOcc 0
43 mol 88 unq 1 iso 0 dist 9.36773 6.066 6.81076 9.94966 10.3436 8.3592 numMergedOcc 0
44 mol 88 unq 2 iso 0 dist 8.31336 9.36032 6.81076 5.57085 9.36773 6.066 numMergedOcc 0
45 mol 88 unq 3 iso 0 dist 8.31336 9.36032 6.81076 10.9968 10.3436 8.3592 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 10.8586 10.9461 8.20656 numMergedOcc 0
47 mol 100 unq 1 iso 0 dist 7.17106 8.20656 8.07089 10.8586 10.1489 4.5985 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 8.73993 6.69217 11.3981 9.93257 16.4353 9.70093 numMergedOcc 0
49 mol 119 unq 1 iso 0 dist 6.18601 9.70093 10.6133 9.93257 9.72413 6.69217 numMergedOcc 0
50 mol 127 unq 0 iso 0 dist 8.14887 5.72373 10.2773 5.55757 12.8743 7.20988 numMergedOcc 0
51 mol 127 unq 1 iso 0 dist 9.30299 5.72373 10.7123 5.55757 14.7391 7.20988 numMergedOcc 0
52 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 8.18495 13.268 9.64695 numMergedOcc 0
53 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 8.18495 12.6651 9.64695 numMergedOcc 0
54 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 8.18495 8.00618 4.51266 numMergedOcc 0
55 mol 133 unq 3 iso 0 dist 8.00618 4.51266 6.56917 8.18495 7.11802 9.64695 numMergedOcc 0
56 mol 175 unq 0 iso 0 dist 9.0018 5.08591 8.19969 6.2715 5.6234 8.03727 numMergedOcc 0
57 mol 175 unq 1 iso 0 dist 7.652 5.08591 5.33769 6.2715 9.92231 8.03727 numMergedOcc 0
58 mol 175 unq 2 iso 0 dist 5.6234 8.03727 8.19969 6.2715 9.0018 5.08591 numMergedOcc 0
59 mol 175 unq 3 iso 0 dist 9.92231 8.03727 5.33769 6.2715 7.652 5.08591 numMergedOcc 0
60 mol 178 unq 0 iso 0 dist 7.17202 7.12045 6.39077 5.18005 8.81551 8.94945 numMergedOcc 0
61 mol 178 unq 1 iso 0 dist 8.81551 8.94945 6.39077 5.18005 7.17202 7.12045 numMergedOcc 0
62 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 7.73294 13.9342 4.90825 numMergedOcc 0
63 mol 229 unq 0 iso 0 dist 7.03423 7.38552 5.31837 7.9315 10.95 7.77578 numMergedOcc 0
64 mol 229 unq 1 iso 0 dist 9.06952 7.38552 4.74734 7.9315 11.7179 7.77578 numMergedOcc 0
65 mol 230 unq 0 iso 0 dist 6.7547 5.31963 4.98428 5.46301 11.5044 7.85632 numMergedOcc 0
66 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 5.88703 12.9605 6.35438 numMergedOcc 0
67 mol 234 unq 1 iso 0 dist 8.34494 7.72403 10.3378 15.2225 19.889 9.57132 numMergedOcc 0
68 mol 234 unq 2 iso 0 dist 6.56247 7.72403 8.83842 5.88703 9.45496 6.35438 numMergedOcc 0
69 mol 234 unq 3 iso 0 dist 6.56247 7.72403 8.83842 15.2225 17.458 9.57132 numMergedOcc 0
70 mol 234 unq 4 iso 0 dist 9.36357 7.72403 5.43327 5.88703 6.7625 6.35438 numMergedOcc 0
71 mol 234 unq 5 iso 0 dist 9.36357 7.72403 5.43327 15.2225 10.701 9.57132 numMergedOcc 0
72 mol 234 unq 6 iso 0 dist 9.45496 6.35438 8.83842 5.88703 6.56247 7.72403 numMergedOcc 0
73 mol 234 unq 7 iso 0 dist 9.45496 6.35438 8.83842 10.2693 17.458 9.57132 numMergedOcc 0
74 mol 234 unq 8 iso 0 dist 6.7625 6.35438 5.43327 5.88703 9.36357 7.72403 numMergedOcc 0
75 mol 234 unq 9 iso 0 dist 6.7625 6.35438 5.43327 10.2693 10.701 9.57132 numMergedOcc 0
76 mol 239 unq 0 iso 0 dist 6.16342 5.45139 4.86449 12.7454 11.8467 8.10769 numMergedOcc 0
77 mol 248 unq 0 iso 0 dist 7.21521 9.12664 5.41499 5.86196 8.2965 6.51383 numMergedOcc 0
78 mol 248 unq 1 iso 0 dist 8.2965 6.51383 5.41499 5.86196 7.21521 9.12664 numMergedOcc 0
79 mol 273 unq 0 iso 0 dist 6.92774 6.70271 5.93427 5.50577 9.95379 6.08532 numMergedOcc 0
80 mol 273 unq 1 iso 0 dist 9.01049 6.70271 5.29565 5.50577 10.2273 6.08532 numMergedOcc 0
81 mol 273 unq 2 iso 0 dist 9.2983 6.70271 11.0848 5.50577 13.7772 6.08532 numMergedOcc 0
82 mol 274 unq 0 iso 0 dist 7.56915 6.32856 11.5556 9.15171 13.9359 8.11169 numMergedOcc 0
83 mol 274 unq 1 iso 0 dist 8.49997 6.32856 13.5073 9.15171 17.2858 8.11169 numMergedOcc 0
