0 mol 1 unq 0 iso 0 dist 5.65716 12.2921 8.31812 11.1504 7.73435 3.41028 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 12.2921 8.31812 7.10269 5.71995 6.04733 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.93613 11.071 6.20227 6.49896 5.55437 5.06967 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 5.99711 11.6375 6.6347 5.55187 5.38458 8.11848 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.70141 9.42167 4.87192 12.8473 9.40479 6.79243 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.70141 9.42167 4.87192 4.36056 9.58012 8.74779 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.49224 6.3763 9.56707 8.81106 5.46988 9.33773 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 7.49224 6.3763 9.56707 11.6623 9.92553 14.7644 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 7.49224 11.9702 9.06397 8.81106 5.46988 6.18581 numMergedOcc 0
9 mol 109 unq 3 iso 0 dist 7.49224 11.9702 9.06397 11.6623 9.92553 12.8592 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 9.82548 15.1654 6.63857 15.0098 8.77841 9.48625 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 7.85653 3.66146 9.36023 10.1665 6.98813 13.3448 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 7.85653 3.66146 9.36023 5.62223 5.39314 5.8849 numMergedOcc 0
13 mol 140 unq 2 iso 0 dist 7.85653 12.5989 9.43159 10.1665 6.98813 12.4664 numMergedOcc 0
14 mol 140 unq 3 iso 0 dist 7.85653 12.5989 9.43159 5.62223 5.39314 7.45506 numMergedOcc 0
15 mol 140 unq 4 iso 0 dist 7.5639 3.66146 6.88264 5.62223 5.3573 5.8849 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 9.91132 4.44253 9.37298 8.14398 8.99983 9.90641 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 8.48559 10.7014 6.00293 5.61836 8.53374 11.092 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 8.12896 6.31211 7.38157 12.3276 8.23605 8.6369 numMergedOcc 0
19 mol 163 unq 1 iso 0 dist 8.88092 4.09836 7.38157 5.83597 8.23605 8.6369 numMergedOcc 0
20 mol 163 unq 2 iso 0 dist 5.80513 7.55428 7.27002 3.64474 7.3546 5.57459 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 9.08628 15.459 6.59925 14.8387 7.32419 3.87881 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 9.08628 15.459 6.59925 11.9554 8.31961 9.0465 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 8.35581 12.0623 6.59925 13.6171 7.32419 3.87881 numMergedOcc 0
24 mol 175 unq 3 iso 0 dist 8.35581 12.0623 6.59925 13.6238 8.31961 9.0465 numMergedOcc 0
25 mol 175 unq 4 iso 0 dist 6.72569 9.05904 6.59925 10.2269 7.32419 3.87881 numMergedOcc 0
26 mol 175 unq 5 iso 0 dist 6.72569 9.05904 6.59925 10.4606 8.31961 9.0465 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 7.47107 9.86028 7.39369 11.4288 5.52678 6.2135 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 7.47107 9.86028 7.39369 15.4624 9.81666 13.7 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 9.86462 10.27 6.45821 5.92515 8.22792 12.0728 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 8.28454 16.1823 9.18343 7.01029 6.53728 15.612 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.12518 10.394 7.14633 9.41039 9.56257 13.4732 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 8.12518 12.4845 9.94302 9.41039 9.56257 6.30626 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 8.44671 10.8851 7.35934 10.128 9.53915 7.15087 numMergedOcc 0
34 mol 251 unq 0 iso 0 dist 8.38382 3.43331 6.12282 5.12873 8.53757 6.84219 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.78354 4.41915 8.65191 6.73942 6.47194 3.42387 numMergedOcc 0
