0 mol 16 unq 0 iso 0 dist 6.61114 6.50294 4.86568 10.212 6.62144 5.39089 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.75381 5.50193 4.7319 10.3873 6.72833 6.51133 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.34277 5.55893 5.04899 6.14367 8.87757 5.77929 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.40763 6.7276 5.04899 8.83211 8.87757 5.77929 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.46842 13.3513 7.57578 10.4123 6.16347 9.34396 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.46842 13.3513 7.57578 12.1605 7.92503 6.11127 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 8.46842 14.4516 7.17969 10.4123 6.16347 10.8498 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.46842 14.4516 7.17969 12.1605 7.92503 5.30154 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 8.50987 6.44262 6.03987 4.95472 6.85556 5.68392 numMergedOcc 0
9 mol 52 unq 0 iso 0 dist 8.52979 11.4352 9.80098 14.261 6.31696 11.6682 numMergedOcc 0
10 mol 52 unq 1 iso 0 dist 8.52979 14.6092 7.34143 14.261 6.31696 6.66056 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 6.47132 9.86595 7.17396 5.09938 8.08618 6.90592 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 6.47132 10.2137 9.21998 5.09938 8.08618 7.6021 numMergedOcc 0
13 mol 101 unq 0 iso 0 dist 7.42893 5.81947 6.57035 9.31844 6.98314 5.53055 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 5.79411 6.03768 7.36792 4.26679 8.31932 7.42011 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 6.3982 5.29965 5.11551 10.6104 6.92026 6.77806 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.06272 8.2292 9.61051 6.48813 6.28565 6.30169 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 9.06272 8.2292 9.61051 6.93006 7.58957 5.68211 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 9.06272 10.7142 5.83384 6.48813 6.28565 4.55551 numMergedOcc 0
19 mol 129 unq 3 iso 0 dist 9.06272 10.7142 5.83384 6.93006 7.58957 10.5488 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 6.44766 7.69184 6.85062 12.0238 8.70296 14.2045 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 6.44766 7.69184 6.85062 6.81696 9.25558 5.09131 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.31743 10.2414 9.89303 6.89623 5.83771 7.41674 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 8.5778 10.2414 6.54501 6.89623 7.80532 7.41674 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 8.5778 13.5276 6.49416 6.89623 7.80532 9.87376 numMergedOcc 0
25 mol 170 unq 0 iso 0 dist 7.47249 6.8201 9.76807 5.34021 6.35982 4.34698 numMergedOcc 0
26 mol 170 unq 1 iso 0 dist 7.47249 6.8201 9.76807 5.01799 7.51126 5.75144 numMergedOcc 0
27 mol 180 unq 0 iso 0 dist 7.24785 14.0966 9.62337 8.09502 5.85827 8.78204 numMergedOcc 0
28 mol 180 unq 1 iso 0 dist 7.53287 14.0344 9.62337 5.6141 5.85827 8.78204 numMergedOcc 0
29 mol 182 unq 0 iso 0 dist 6.32172 11.6953 9.31746 5.00423 6.73956 7.68794 numMergedOcc 0
30 mol 182 unq 1 iso 0 dist 6.32172 11.6953 9.31746 5.41536 7.09394 9.37404 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 6.49544 8.73217 11.7429 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 9.00273 12.3192 8.56633 15.996 7.50013 8.46623 numMergedOcc 0
33 mol 197 unq 1 iso 0 dist 9.00273 12.3192 8.56633 13.9428 5.81233 10.7305 numMergedOcc 0
34 mol 197 unq 2 iso 0 dist 9.00273 12.3192 8.56633 10.6805 6.92924 5.41996 numMergedOcc 0
35 mol 197 unq 3 iso 0 dist 9.00273 12.3192 8.56633 8.06716 7.14306 6.64537 numMergedOcc 0
36 mol 197 unq 4 iso 0 dist 7.19387 11.7609 8.56633 11.8776 7.50013 8.46623 numMergedOcc 0
37 mol 197 unq 5 iso 0 dist 7.19387 11.7609 8.56633 7.82456 5.81233 10.7305 numMergedOcc 0
38 mol 197 unq 6 iso 0 dist 7.19387 11.7609 8.56633 12.657 6.92924 5.41996 numMergedOcc 0
39 mol 197 unq 7 iso 0 dist 7.19387 11.7609 8.56633 6.07107 7.14306 6.64537 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 9.65951 11.5989 7.10633 16.909 9.68728 7.67571 numMergedOcc 0
41 mol 204 unq 1 iso 0 dist 9.65951 9.99471 8.51516 16.909 9.68728 10.8573 numMergedOcc 0
42 mol 204 unq 2 iso 0 dist 9.14829 6.73339 7.10633 14.2441 9.68728 7.67571 numMergedOcc 0
43 mol 204 unq 3 iso 0 dist 9.14829 13.2127 8.51516 14.2441 9.68728 10.8573 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 8.81925 9.75789 8.01589 6.11074 7.67576 10.3151 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 8.81925 9.75789 8.01589 6.22277 9.82371 8.52017 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 8.81925 12.7799 7.7699 6.11074 7.67576 7.81022 numMergedOcc 0
47 mol 222 unq 3 iso 0 dist 8.81925 12.7799 7.7699 6.22277 9.82371 15.7504 numMergedOcc 0
48 mol 222 unq 4 iso 0 dist 8.81925 12.5625 7.21333 6.11074 7.67576 7.75656 numMergedOcc 0
49 mol 222 unq 5 iso 0 dist 8.81925 12.5625 7.21333 6.22277 9.82371 16.0949 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 6.94983 5.08111 8.27212 4.03628 9.05071 8.80479 numMergedOcc 0
51 mol 234 unq 0 iso 0 dist 8.58958 16.0172 8.34494 18.0206 9.81425 4.3717 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 18.0206 9.81425 4.46561 numMergedOcc 0
53 mol 234 unq 2 iso 0 dist 8.58958 13.5847 9.36357 18.0206 9.81425 10.641 numMergedOcc 0
54 mol 234 unq 3 iso 0 dist 9.70004 10.9359 8.34494 15.0011 9.81425 4.3717 numMergedOcc 0
55 mol 234 unq 4 iso 0 dist 9.70004 14.3229 6.56247 15.0011 9.81425 4.46561 numMergedOcc 0
56 mol 234 unq 5 iso 0 dist 9.70004 17.5883 9.36357 15.0011 9.81425 10.641 numMergedOcc 0
57 mol 239 unq 0 iso 0 dist 9.73858 7.43079 6.16342 4.91532 8.84636 4.30299 numMergedOcc 0
58 mol 249 unq 0 iso 0 dist 9.14351 12.1004 7.57994 5.56847 5.48118 10.7772 numMergedOcc 0
59 mol 249 unq 1 iso 0 dist 9.14351 9.40115 6.18582 5.56847 5.48118 7.04666 numMergedOcc 0
60 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 5.62207 7.21311 5.63675 numMergedOcc 0
61 mol 259 unq 0 iso 0 dist 9.89728 5.07898 7.46176 13.5186 7.08526 8.81835 numMergedOcc 0
62 mol 278 unq 0 iso 0 dist 8.62414 12.2316 8.44326 10.5063 8.00673 4.97614 numMergedOcc 0
63 mol 292 unq 0 iso 0 dist 6.87804 11.634 8.2734 13.9059 7.07965 10.8848 numMergedOcc 0
64 mol 292 unq 1 iso 0 dist 6.07571 8.66797 8.2734 4.59906 7.07965 10.8848 numMergedOcc 0
