0 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 9.81087 10.747 6.23095 13.4756 8.43188 7.685 7.40735 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 9.81087 11.5983 6.23095 13.4756 10.3635 7.685 7.40735 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 15.7779 6.4487 7.51406 17.1125 11.887 9.16962 9.20028 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 11.5166 5.46309 9.70415 12.9951 5.83489 8.76003 10.4362 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 11.5166 11.9897 9.70415 12.9951 7.39396 8.76003 10.4362 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 14.542 11.9897 9.70415 11.0903 7.39396 8.76003 10.4362 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 12.8498 13.5384 6.56728 14.6315 11.6116 7.22293 8.46482 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 4.98864 6.59772 6.11741 5.87592 5.19652 8.97043 9.44544 4.61908 9.66954 7.266 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 4.98864 6.59772 6.11741 5.87592 5.19652 8.97043 12.7883 10.8939 7.64585 11.6637 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 7.95871 4.86477 6.11741 8.37388 5.19652 8.97043 12.2966 4.61908 9.66954 7.266 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 7.95871 4.86477 6.11741 8.37388 5.19652 8.97043 10.1292 10.8939 7.64585 11.6637 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 11.6509 5.21051 7.0318 9.58171 4.91401 6.62561 5.70073 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 13.1924 5.21051 7.0318 13.2996 4.91401 6.62561 5.70073 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 15.5348 10.5726 8.88255 13.4009 10.6679 9.63176 10.06 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 13.7766 11.3502 8.99949 9.90096 6.19596 6.91348 9.45501 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 13.7766 11.3502 8.99949 10.3644 6.6499 9.51418 9.03202 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 9.27422 5.60111 5.47561 7.35476 12.2813 6.82208 11.3364 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 15.0689 6.38287 9.60159 16.431 9.13836 8.17891 7.35206 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 9.18345 5.33697 6.06422 8.81534 6.20606 5.38637 5.58989 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.42725 8.70769 5.30224 11.4709 5.43184 8.57619 8.65525 5.31048 8.37865 5.4536 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 10.8849 10.9571 6.82526 10.4678 7.49174 7.47164 5.74092 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 10.8849 10.3274 6.82526 10.4678 5.22253 7.47164 5.74092 numMergedOcc 0
