0 mol 41 unq 0 iso 0 dist 8.19484 5.91275 7.89705 5.14132 5.52067 6.26099 numMergedOcc 0
1 mol 74 unq 0 iso 0 dist 9.43699 15.6209 9.4866 10.1834 4.79413 7.67374 numMergedOcc 0
2 mol 74 unq 1 iso 0 dist 5.23115 11.5089 9.4866 3.94075 4.79413 7.67374 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.81334 7.08972 4.66377 5.72925 8.69209 6.00832 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 7.13726 4.59595 9.70523 4.4432 9.13207 7.44937 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 9.85832 5.18427 6.4028 10.7037 9.89462 10.8984 numMergedOcc 0
6 mol 128 unq 1 iso 0 dist 7.49024 3.93522 6.4028 8.80709 9.89462 10.8984 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 7.62584 5.11455 4.85559 4.9574 6.42785 5.53247 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 7.62584 10.0429 6.87562 4.9574 6.42785 11.1141 numMergedOcc 0
9 mol 130 unq 2 iso 0 dist 7.39532 7.43279 4.85559 6.53156 6.42785 5.53247 numMergedOcc 0
10 mol 130 unq 3 iso 0 dist 7.39532 10.9627 6.87562 6.53156 6.42785 11.1141 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 9.2042 7.10961 6.31314 12.9483 7.53158 7.06802 numMergedOcc 0
12 mol 154 unq 1 iso 0 dist 9.2042 7.10961 6.31314 9.90775 7.43407 6.88913 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 6.92225 5.52015 7.24115 5.49464 6.39981 8.52244 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 8.12896 5.02465 6.96572 4.06532 5.92747 5.80695 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 8.88092 11.6445 6.96572 5.93645 5.92747 5.80695 numMergedOcc 0
16 mol 163 unq 2 iso 0 dist 9.3832 17.2409 9.29539 14.7696 8.21476 13.2873 numMergedOcc 0
17 mol 163 unq 3 iso 0 dist 9.3832 17.2409 9.29539 9.55472 7.66897 14.4829 numMergedOcc 0
18 mol 163 unq 4 iso 0 dist 9.3832 14.7097 9.02124 14.7696 8.21476 10.4425 numMergedOcc 0
19 mol 163 unq 5 iso 0 dist 9.3832 14.7097 9.02124 9.55472 7.66897 13.7217 numMergedOcc 0
20 mol 163 unq 6 iso 0 dist 6.0247 8.52732 9.29539 6.00005 8.21476 13.2873 numMergedOcc 0
21 mol 163 unq 7 iso 0 dist 6.0247 8.52732 9.29539 6.69711 7.66897 14.4829 numMergedOcc 0
22 mol 163 unq 8 iso 0 dist 6.0247 12.8414 9.02124 6.00005 8.21476 10.4425 numMergedOcc 0
23 mol 163 unq 9 iso 0 dist 6.0247 12.8414 9.02124 6.69711 7.66897 13.7217 numMergedOcc 0
24 mol 163 unq 10 iso 0 dist 6.40873 10.0505 9.29539 9.09427 8.21476 13.2873 numMergedOcc 0
25 mol 163 unq 11 iso 0 dist 6.40873 10.0505 9.29539 5.45003 7.66897 14.4829 numMergedOcc 0
26 mol 163 unq 12 iso 0 dist 6.40873 14.9092 9.02124 9.09427 8.21476 10.4425 numMergedOcc 0
27 mol 163 unq 13 iso 0 dist 6.40873 14.9092 9.02124 5.45003 7.66897 13.7217 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 7.47107 14.7761 8.63008 11.5684 9.77862 8.91682 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 8.12518 5.22879 9.33735 4.71182 9.20589 9.78356 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 8.12518 5.22879 9.33735 7.51342 7.89801 6.0465 numMergedOcc 0
31 mol 237 unq 0 iso 0 dist 9.74081 13.9685 7.68769 9.68452 7.35569 5.18559 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 5.66593 5.80426 8.54245 4.12468 6.01071 5.83664 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 8.36282 14.2164 7.11691 10.5255 7.55161 10.3424 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 5.63154 13.1905 8.84798 7.73611 8.23056 14.1561 numMergedOcc 0
