0 mol 24 unq 0 iso 0 dist 6.03041 5.11382 7.19357 11.1055 7.18124 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.03041 5.11382 7.19357 11.2879 6.47026 10.2171 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.64064 8.06843 4.23443 5.44908 7.49391 9.74532 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 8.52826 8.06843 5.4811 10.9344 8.47637 12.052 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 7.04533 5.07453 4.3266 9.53308 8.90965 11.3682 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.16398 9.86131 6.68956 3.98519 9.77068 13.2214 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.16398 6.75985 3.26501 3.98519 9.77068 10.7343 numMergedOcc 0
7 mol 81 unq 0 iso 0 dist 5.62329 4.95504 7.01382 10.4562 8.36954 10.9128 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 6.05523 5.56598 3.47821 8.24077 9.43682 7.84207 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 6.05523 5.56598 3.47821 3.79384 8.0564 8.56947 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 7.81657 5.39792 3.47821 5.56137 9.43682 7.84207 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 7.81657 5.39792 3.47821 6.80121 8.0564 8.56947 numMergedOcc 0
12 mol 120 unq 4 iso 0 dist 7.81657 8.44206 6.10769 5.56137 9.43682 6.98791 numMergedOcc 0
13 mol 120 unq 5 iso 0 dist 7.81657 8.44206 6.10769 6.80121 8.0564 11.3644 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.93886 9.72421 3.21474 3.50983 8.20345 8.78115 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 9.93886 9.72421 3.21474 11.8396 5.38148 8.03692 numMergedOcc 0
16 mol 123 unq 2 iso 0 dist 6.49558 8.09682 8.56894 5.85997 8.20345 13.5017 numMergedOcc 0
17 mol 123 unq 3 iso 0 dist 6.49558 8.09682 8.56894 3.61945 5.38148 5.56127 numMergedOcc 0
18 mol 123 unq 4 iso 0 dist 6.49558 8.35926 3.21474 5.85997 8.20345 8.78115 numMergedOcc 0
19 mol 123 unq 5 iso 0 dist 6.49558 8.35926 3.21474 3.61945 5.38148 8.03692 numMergedOcc 0
20 mol 123 unq 6 iso 0 dist 6.49558 7.41568 9.94939 5.85997 8.20345 12.1434 numMergedOcc 0
21 mol 123 unq 7 iso 0 dist 6.49558 7.41568 9.94939 3.61945 5.38148 5.36214 numMergedOcc 0
22 mol 124 unq 0 iso 0 dist 5.03702 9.01881 4.95526 6.49874 9.0745 10.1188 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 6.17569 8.54982 5.23001 7.7167 8.58391 13.1677 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.13651 9.79593 14.5414 7.65595 8.86142 16.2037 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 8.89002 9.2684 16.0845 9.42852 8.53393 12.0398 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 8.89002 9.2684 16.0845 9.63536 7.24165 12.3639 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.27165 9.03468 3.39991 7.06245 8.70479 10.9435 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 8.0077 6.05363 3.39991 16.2901 8.70479 10.9435 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 8.27165 9.03468 3.39991 7.06245 8.70479 10.9435 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 8.0077 6.05363 3.39991 16.2901 8.70479 10.9435 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.27165 9.03468 3.39991 7.06245 8.70479 10.9435 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 8.0077 6.05363 3.39991 16.2901 8.70479 10.9435 numMergedOcc 0
