0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 15.8072 8.72114 13.8829 11.4767 6.34041 12.9581 6.14469 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 11.7593 10.7734 13.8584 7.98326 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 7.95811 9.62262 10.604 7.46578 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 18.4559 12.176 6.73939 6.72323 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 12.1061 8.4051 13.2229 18.4559 12.176 18.673 6.72323 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.11056 10.4744 8.86116 11.095 8.60554 8.52463 16.6031 14.012 9.41441 6.72323 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.11056 6.9756 8.38394 11.095 8.60554 12.3994 16.6031 14.012 15.392 6.72323 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 4.32173 6.16347 9.34396 8.78181 6.08585 8.50222 6.25843 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 4.32173 6.16347 10.8498 8.78181 6.08585 7.55264 6.25843 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 8.6396 5.8503 5.04899 4.32173 7.45383 7.33728 8.78181 5.77929 8.87757 6.25843 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 8.6396 5.8503 5.04899 16.0077 9.01548 13.9331 8.78181 5.77929 8.87757 8.88938 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 11.6272 10.8498 6.16347 6.25843 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 18.0075 10.4337 13.8469 8.88938 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 10.9995 7.06961 6.7117 6.88901 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 10.9995 7.06961 9.42961 6.88901 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 10.9995 7.06961 4.47349 6.88901 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 11.1541 7.06961 6.7117 6.88901 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 11.1541 7.06961 9.42961 6.88901 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 11.1541 7.06961 4.47349 6.88901 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 14.3332 7.27193 11.9334 6.6317 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 6.38163 8.61575 9.61051 7.03404 6.28565 6.30169 12.672 10.7293 16.0242 9.73158 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 6.38163 8.61575 9.61051 7.03404 6.28565 6.30169 11.6466 7.29399 13.4182 7.59327 numMergedOcc 0
22 mol 129 unq 2 iso 0 dist 6.38163 10.0961 5.83384 7.03404 6.28565 4.55551 12.672 10.7293 9.36851 9.73158 numMergedOcc 0
23 mol 129 unq 3 iso 0 dist 6.38163 10.0961 5.83384 7.03404 6.28565 4.55551 11.6466 7.29399 4.97175 7.59327 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.78739 5.94469 7.77758 14.0612 9.69409 14.08 9.92471 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 6.78739 5.94469 12.5387 14.0612 9.69409 15.9489 9.92471 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 11.0516 8.77999 8.49529 17.1417 12.717 12.0486 6.60053 numMergedOcc 0
27 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 11.0516 8.77999 8.49529 18.5257 14.8459 12.708 9.36796 numMergedOcc 0
28 mol 192 unq 2 iso 0 dist 9.90531 4.96445 7.00794 11.0516 8.77999 11.7523 17.1417 12.717 16.9245 6.60053 numMergedOcc 0
29 mol 192 unq 3 iso 0 dist 9.90531 4.96445 7.00794 11.0516 8.77999 11.7523 18.5257 14.8459 18.1003 9.36796 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 6.36084 9.40808 4.9377 9.41148 12.5452 13.7227 9.78181 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 9.29752 9.60401 8.27212 6.36084 9.40808 4.9377 7.83422 8.80479 9.05071 9.8664 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 6.37672 9.07501 7.57994 4.20164 5.48118 10.7772 9.02777 9.0676 16.0282 5.9627 numMergedOcc 0
33 mol 249 unq 1 iso 0 dist 6.37672 4.24014 6.18582 4.20164 5.48118 7.04666 9.02777 9.0676 12.4721 5.9627 numMergedOcc 0
34 mol 249 unq 2 iso 0 dist 8.94023 9.53929 7.57994 5.93404 5.48118 10.7772 11.4503 9.0676 16.0282 5.9627 numMergedOcc 0
35 mol 249 unq 3 iso 0 dist 8.94023 5.36989 6.18582 5.93404 5.48118 7.04666 11.4503 9.0676 12.4721 5.9627 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 4.36131 8.52587 5.29529 9.02071 6.20558 9.85289 6.88827 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 9.71801 5.9882 7.56915 4.36131 8.52587 5.29529 11.74 16.3619 14.1515 9.16942 numMergedOcc 0
