0 mol 66 unq 0 iso 0 dist 8.38282 4.0452 7.3359 10.4869 7.69664 8.65033 numMergedOcc 0
1 mol 66 unq 1 iso 0 dist 8.38282 4.0452 7.3359 10.9661 8.09941 7.8807 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.70949 6.4516 9.2223 12.4794 13.625 9.83555 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.41567 12.4141 7.46657 13.3552 5.31985 6.55112 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.62246 10.3695 7.46657 8.8326 5.31985 6.55112 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.09906 5.46484 8.0139 9.52098 5.80367 8.4416 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.09906 5.46484 8.0139 12.0256 10.1442 7.79538 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 5.22024 5.22308 6.00727 7.49352 4.63567 4.73115 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 5.22024 5.22308 6.00727 11.0722 6.63454 8.73668 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 8.57582 8.11558 6.00727 8.27742 4.63567 4.73115 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 8.57582 8.11558 6.00727 13.9367 6.63454 8.73668 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 8.46796 6.67613 7.69229 13.3009 5.65603 9.65468 numMergedOcc 0
12 mol 172 unq 0 iso 0 dist 9.15928 11.5134 9.18538 11.2818 9.71456 8.03455 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.3705 5.87625 7.04524 12.5713 6.04871 9.20541 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 8.3705 5.87625 7.04524 10.6913 8.04534 6.65077 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 6.74267 6.92631 6.23025 6.72624 5.60586 7.00456 numMergedOcc 0
16 mol 217 unq 1 iso 0 dist 6.74267 6.92631 6.23025 4.92885 4.64118 8.99484 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.60159 7.50456 8.27093 12.088 4.664 9.34023 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.60159 7.50456 8.27093 10.4038 4.1511 5.77762 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 5.00457 5.30728 8.83023 8.3932 4.92403 9.60329 numMergedOcc 0
