0 mol 0 unq 0 iso 0 dist 9.56804 18.9098 9.99338 11.6896 8.13129 14.9294 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.56804 11.6896 8.13129 18.9098 9.99338 14.9294 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.56804 18.9098 9.99338 14.5258 9.07223 15.247 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 9.56804 14.5258 9.07223 18.9098 9.99338 15.247 numMergedOcc 0
4 mol 0 unq 1 iso 0 dist 9.56804 11.6896 8.13129 14.5258 9.07223 7.19817 numMergedOcc 0
5 mol 0 unq 1 iso 1 dist 9.56804 14.5258 9.07223 11.6896 8.13129 7.19817 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 6.44674 6.53202 6.79837 10.2236 8.07369 5.06358 numMergedOcc 0
7 mol 9 unq 0 iso 1 dist 6.44674 10.2236 8.07369 6.53202 6.79837 5.06358 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 9.69488 11.2195 8.01624 5.66355 7.83004 7.40574 numMergedOcc 0
9 mol 87 unq 0 iso 1 dist 9.69488 5.66355 7.83004 11.2195 8.01624 7.40574 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.63517 11.9192 9.70093 8.8283 6.69217 9.93257 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 8.63517 8.8283 6.69217 11.9192 9.70093 9.93257 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 9.6597 8.44504 7.02823 12.1381 8.97404 12.4918 numMergedOcc 0
13 mol 157 unq 0 iso 1 dist 9.6597 12.1381 8.97404 8.44504 7.02823 12.4918 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 6.0225 4.81807 7.24772 7.79648 7.89803 6.64382 numMergedOcc 0
15 mol 183 unq 0 iso 1 dist 6.0225 7.79648 7.89803 4.81807 7.24772 6.64382 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 6.0225 4.81807 7.24772 11.2316 9.75243 7.09808 numMergedOcc 0
17 mol 183 unq 1 iso 1 dist 6.0225 11.2316 9.75243 4.81807 7.24772 7.09808 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 6.0225 7.79648 7.89803 11.2316 9.75243 8.1508 numMergedOcc 0
19 mol 183 unq 1 iso 1 dist 6.0225 11.2316 9.75243 7.79648 7.89803 8.1508 numMergedOcc 0
20 mol 183 unq 2 iso 0 dist 6.42113 7.68618 7.24772 6.50505 7.89803 6.64382 numMergedOcc 0
21 mol 183 unq 2 iso 1 dist 6.42113 6.50505 7.89803 7.68618 7.24772 6.64382 numMergedOcc 0
22 mol 183 unq 3 iso 0 dist 6.42113 7.68618 7.24772 4.73001 9.75243 7.09808 numMergedOcc 0
23 mol 183 unq 3 iso 1 dist 6.42113 4.73001 9.75243 7.68618 7.24772 7.09808 numMergedOcc 0
24 mol 183 unq 3 iso 0 dist 6.42113 6.50505 7.89803 4.73001 9.75243 8.1508 numMergedOcc 0
25 mol 183 unq 3 iso 1 dist 6.42113 4.73001 9.75243 6.50505 7.89803 8.1508 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 6.02565 12.6498 8.29133 11.9201 8.96646 5.45334 numMergedOcc 0
27 mol 213 unq 0 iso 1 dist 6.02565 11.9201 8.96646 12.6498 8.29133 5.45334 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 8.37202 5.0241 5.40597 4.36122 7.66784 7.02195 numMergedOcc 0
29 mol 219 unq 0 iso 1 dist 8.37202 4.36122 7.66784 5.0241 5.40597 7.02195 numMergedOcc 0
30 mol 219 unq 1 iso 0 dist 8.37202 5.0241 5.40597 14.0703 8.69579 13.4387 numMergedOcc 0
31 mol 219 unq 1 iso 1 dist 8.37202 14.0703 8.69579 5.0241 5.40597 13.4387 numMergedOcc 0
32 mol 219 unq 2 iso 0 dist 8.37202 5.0241 5.40597 13.25 6.71733 10.8119 numMergedOcc 0
33 mol 219 unq 2 iso 1 dist 8.37202 13.25 6.71733 5.0241 5.40597 10.8119 numMergedOcc 0
34 mol 219 unq 1 iso 0 dist 8.37202 4.36122 7.66784 14.0703 8.69579 10.7348 numMergedOcc 0
35 mol 219 unq 1 iso 1 dist 8.37202 14.0703 8.69579 4.36122 7.66784 10.7348 numMergedOcc 0
36 mol 219 unq 2 iso 0 dist 8.37202 4.36122 7.66784 13.25 6.71733 10.6748 numMergedOcc 0
37 mol 219 unq 2 iso 1 dist 8.37202 13.25 6.71733 4.36122 7.66784 10.6748 numMergedOcc 0
38 mol 219 unq 2 iso 0 dist 8.37202 14.0703 8.69579 13.25 6.71733 6.74494 numMergedOcc 0
39 mol 219 unq 2 iso 1 dist 8.37202 13.25 6.71733 14.0703 8.69579 6.74494 numMergedOcc 0
40 mol 219 unq 3 iso 0 dist 9.24406 14.1934 5.40597 13.288 7.66784 7.02195 numMergedOcc 0
41 mol 219 unq 3 iso 1 dist 9.24406 13.288 7.66784 14.1934 5.40597 7.02195 numMergedOcc 0
42 mol 219 unq 4 iso 0 dist 9.24406 14.1934 5.40597 4.95329 8.69579 13.4387 numMergedOcc 0
43 mol 219 unq 4 iso 1 dist 9.24406 4.95329 8.69579 14.1934 5.40597 13.4387 numMergedOcc 0
44 mol 219 unq 5 iso 0 dist 9.24406 14.1934 5.40597 4.26247 6.71733 10.8119 numMergedOcc 0
45 mol 219 unq 5 iso 1 dist 9.24406 4.26247 6.71733 14.1934 5.40597 10.8119 numMergedOcc 0
46 mol 219 unq 4 iso 0 dist 9.24406 13.288 7.66784 4.95329 8.69579 10.7348 numMergedOcc 0
47 mol 219 unq 4 iso 1 dist 9.24406 4.95329 8.69579 13.288 7.66784 10.7348 numMergedOcc 0
48 mol 219 unq 5 iso 0 dist 9.24406 13.288 7.66784 4.26247 6.71733 10.6748 numMergedOcc 0
49 mol 219 unq 5 iso 1 dist 9.24406 4.26247 6.71733 13.288 7.66784 10.6748 numMergedOcc 0
50 mol 219 unq 5 iso 0 dist 9.24406 4.95329 8.69579 4.26247 6.71733 6.74494 numMergedOcc 0
51 mol 219 unq 5 iso 1 dist 9.24406 4.26247 6.71733 4.95329 8.69579 6.74494 numMergedOcc 0
52 mol 225 unq 0 iso 0 dist 6.91551 6.36962 8.25629 14.3786 9.31373 12.0157 numMergedOcc 0
53 mol 225 unq 0 iso 1 dist 6.91551 14.3786 9.31373 6.36962 8.25629 12.0157 numMergedOcc 0
54 mol 225 unq 1 iso 0 dist 6.91551 6.36962 8.25629 12.3512 9.20561 16.718 numMergedOcc 0
55 mol 225 unq 1 iso 1 dist 6.91551 12.3512 9.20561 6.36962 8.25629 16.718 numMergedOcc 0
56 mol 225 unq 2 iso 0 dist 6.91551 6.36962 8.25629 14.2639 9.88976 12.5593 numMergedOcc 0
57 mol 225 unq 2 iso 1 dist 6.91551 14.2639 9.88976 6.36962 8.25629 12.5593 numMergedOcc 0
58 mol 225 unq 1 iso 0 dist 6.91551 14.3786 9.31373 12.3512 9.20561 15.3446 numMergedOcc 0
59 mol 225 unq 1 iso 1 dist 6.91551 12.3512 9.20561 14.3786 9.31373 15.3446 numMergedOcc 0
60 mol 225 unq 2 iso 0 dist 6.91551 14.3786 9.31373 14.2639 9.88976 13.3965 numMergedOcc 0
61 mol 225 unq 2 iso 1 dist 6.91551 14.2639 9.88976 14.3786 9.31373 13.3965 numMergedOcc 0
62 mol 225 unq 2 iso 0 dist 6.91551 12.3512 9.20561 14.2639 9.88976 16.5576 numMergedOcc 0
63 mol 225 unq 2 iso 1 dist 6.91551 14.2639 9.88976 12.3512 9.20561 16.5576 numMergedOcc 0
64 mol 229 unq 0 iso 0 dist 9.43713 9.29848 7.77578 10.7439 7.38552 7.9315 numMergedOcc 0
65 mol 229 unq 0 iso 1 dist 9.43713 10.7439 7.38552 9.29848 7.77578 7.9315 numMergedOcc 0
66 mol 239 unq 0 iso 0 dist 6.49292 11.1043 7.21256 9.00261 7.71476 6.68485 numMergedOcc 0
67 mol 239 unq 0 iso 1 dist 6.49292 9.00261 7.71476 11.1043 7.21256 6.68485 numMergedOcc 0
68 mol 239 unq 1 iso 0 dist 8.07907 7.97883 5.45139 12.1813 8.10769 12.7454 numMergedOcc 0
69 mol 239 unq 1 iso 1 dist 8.07907 12.1813 8.10769 7.97883 5.45139 12.7454 numMergedOcc 0
70 mol 273 unq 0 iso 0 dist 6.66661 6.9795 6.70271 5.09127 6.08532 5.50577 numMergedOcc 0
71 mol 273 unq 0 iso 1 dist 6.66661 5.09127 6.08532 6.9795 6.70271 5.50577 numMergedOcc 0
72 mol 274 unq 0 iso 0 dist 6.03011 4.37547 8.11169 5.9882 6.32856 9.15171 numMergedOcc 0
73 mol 274 unq 0 iso 1 dist 6.03011 5.9882 6.32856 4.37547 8.11169 9.15171 numMergedOcc 0
