0 mol 20 unq 0 iso 0 dist 7.77627 6.29581 3.61632 12.586 6.86736 6.3253 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.77627 6.29581 3.61632 9.82353 8.17383 5.80568 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.77627 8.39179 4.32143 12.586 6.86736 10.6446 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 7.77627 8.39179 4.32143 9.82353 8.17383 10.0032 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 6.12382 5.21143 3.61632 10.3161 6.86736 6.3253 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 6.12382 5.21143 3.61632 5.82005 8.17383 5.80568 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 6.12382 5.75338 4.32143 10.3161 6.86736 10.6446 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 6.12382 5.75338 4.32143 5.82005 8.17383 10.0032 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.94809 6.27321 13.6446 8.51311 9.59959 11.3554 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 7.94809 6.27321 13.6446 6.18534 9.33762 9.88037 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.88238 8.64736 15.0328 15.0981 9.69315 17.5606 numMergedOcc 0
11 mol 81 unq 0 iso 0 dist 8.32098 7.32157 10.0734 9.43084 6.39879 11.5503 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.96357 9.63085 5.06665 7.37795 9.66687 5.87084 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.94623 6.08299 5.51309 5.87436 7.01507 6.40575 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.59119 9.31137 5.06462 5.12029 9.80664 12.6567 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.18166 9.3055 5.47413 12.0358 8.43104 12.4118 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 6.18166 9.3055 5.47413 7.10431 9.13452 13.1911 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 6.09565 9.24801 6.3231 6.43152 8.11761 9.9584 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 6.0626 7.32216 4.09076 4.94738 8.51608 11.1836 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 6.0626 9.92206 6.69164 4.94738 8.51608 10.0203 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.89017 7.64361 6.17749 9.95264 9.04531 8.20644 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 8.89904 9.35785 4.71431 5.51019 8.83569 6.73712 numMergedOcc 0
