0 mol 10 unq 0 iso 0 dist 7.51287 4.89792 3.69246 6.32714 11.9743 9.17574 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.51287 4.89792 3.69246 4.20242 11.6024 8.79953 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.26954 8.37507 12.8218 16.6073 22.4593 9.69694 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.22411 5.58102 12.2805 9.96768 18.8595 9.90672 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.22411 5.58102 12.2805 5.91879 11.3756 7.55367 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 6.17173 5.58102 3.78499 9.96768 13.1142 9.90672 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 6.17173 5.58102 3.78499 5.91879 8.41411 7.55367 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.92498 6.61697 7.1034 4.68082 9.09263 7.40338 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 7.92498 6.61697 7.1034 5.60987 5.37302 6.23759 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 5.32517 9.38 12.0704 10.172 14.8285 7.4442 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 7.6275 9.38 11.7516 10.172 15.4399 7.4442 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 7.4738 9.38 6.13996 10.172 10.3883 7.4442 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 8.88867 9.38 4.62046 10.172 6.03154 7.4442 numMergedOcc 0
13 mol 128 unq 4 iso 0 dist 7.04282 9.38 4.769 10.172 9.03339 7.4442 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.47476 5.96324 12.4943 10.7523 17.8576 9.62774 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.47476 9.22913 6 14.894 7.6793 6.75593 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 6.74947 5.96324 5.51254 10.7523 8.01453 9.62774 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 6.74947 9.22913 14.501 14.894 20.9125 6.75593 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 8.11268 6.85177 7.16323 4.67112 9.43938 7.85698 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 8.11268 6.85177 7.16323 5.50901 5.51388 6.35799 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.22466 8.86574 12.7948 9.75326 15.1968 5.25762 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.91079 4.72209 3.83801 5.68053 5.86419 7.75318 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.70007 9.33393 4.51296 6.58488 10.4741 7.49502 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 5.66945 7.65636 8.48642 5.69979 10.5164 8.73192 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 7.46 8.90109 3.43711 8.565 5.68717 6.12343 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 6.71406 8.90109 7.63469 8.565 10.4213 6.12343 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 8.07113 8.55479 10.4014 11.7392 14.9602 9.41212 numMergedOcc 0
