0 mol 34 unq 0 iso 0 dist 9.18109 5.80438 6.40741 12.446 7.58092 7.37118 numMergedOcc 0
1 mol 103 unq 0 iso 0 dist 6.71671 4.1431 9.5002 5.53454 5.59536 5.51053 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 5.28955 4.09788 6.13508 9.72764 8.99475 6.21165 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 7.83509 7.34966 8.18186 11.4564 8.5036 8.65859 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 6.95914 13.2639 7.35385 10.3033 4.20944 8.40695 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 6.95914 13.2639 7.35385 10.8862 6.685 9.35867 numMergedOcc 0
6 mol 141 unq 2 iso 0 dist 6.95914 10.9097 8.35864 10.8862 6.685 9.38036 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 6.00651 7.38323 5.08863 8.76449 6.99467 9.59327 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 6.00651 7.38323 5.08863 8.36182 4.53687 8.51399 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 9.51731 7.15755 8.62413 9.067 3.57652 5.67088 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 6.09754 8.35349 6.05667 12.5739 10.4274 7.13824 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 5.89788 10.7793 6.14304 8.82691 4.90493 8.4493 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 6.11539 9.74489 6.67239 8.54126 3.79439 9.89191 numMergedOcc 0
13 mol 232 unq 1 iso 0 dist 9.71082 16.2642 6.67239 7.64079 3.79439 9.89191 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 8.88613 4.32578 6.86251 9.82099 13.1753 7.26232 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 7.279 4.20164 4.68783 12.1989 10.5184 8.76518 numMergedOcc 0
16 mol 249 unq 1 iso 0 dist 8.43448 5.93404 4.68783 11.121 10.5184 8.76518 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 8.14634 5.15747 9.02661 9.82713 9.90818 8.09181 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 5.27236 7.33654 6.1268 9.42655 4.45227 9.01437 numMergedOcc 0
