0 mol 6 unq 0 iso 0 dist 7.8489 7.13004 11.3724 4.09733 10.4594 4.56325 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 9.2859 7.13004 12.6535 4.09733 11.0891 4.56325 numMergedOcc 0
2 mol 6 unq 2 iso 0 dist 6.65664 7.13004 4.22842 4.09733 4.81943 4.56325 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 5.5705 4.98218 4.21185 4.79477 6.64605 6.69711 numMergedOcc 0
4 mol 37 unq 1 iso 0 dist 5.5705 4.98218 4.21185 11.0206 13.4083 9.30041 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.76383 5.667 4.42702 4.73724 9.4022 8.39101 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.76383 5.667 4.42702 3.98395 10.6928 6.57826 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.04398 7.77845 9.89157 12.0928 14.7615 5.44714 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.99873 8.50045 8.32999 4.64006 8.53731 7.50886 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 5.99873 7.90329 5.28095 4.64006 8.53731 7.25217 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 5.99873 9.31512 12.7899 10.6057 12.1234 9.78437 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.4822 5.83972 5.65619 4.38796 10.5019 7.74744 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 8.05227 9.47487 4.40086 16.7164 10.1509 8.32685 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 8.05227 9.47487 4.40086 16.2207 9.89359 6.74777 numMergedOcc 0
14 mol 197 unq 2 iso 0 dist 8.05227 9.47487 4.40086 18.5581 13.4495 9.62514 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 7.09902 9.13657 5.3674 6.03685 7.74693 7.83363 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.77491 6.21984 6.66018 5.8014 14.9955 9.88122 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 6.5095 9.8043 12.428 14.1451 18.6663 8.53888 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 6.5095 9.8043 12.428 17.3776 21.5717 9.46855 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 5.1766 9.8043 7.69259 14.1451 12.2591 8.53888 numMergedOcc 0
20 mol 243 unq 3 iso 0 dist 5.1766 9.8043 7.69259 17.3776 16.1357 9.46855 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 5.03174 6.61098 5.71512 6.06394 9.38067 6.21206 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 7.22743 6.25794 5.71512 6.73127 9.38067 6.21206 numMergedOcc 0
23 mol 286 unq 0 iso 0 dist 8.23357 5.31897 6.15824 7.67959 13.0342 8.39965 numMergedOcc 0
