0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 9.88128 7.50258 7.34641 5.28538 8.53135 6.69806 5.82508 numMergedOcc 0
1 mol 29 unq 0 iso 1 dist 9.99467 9.88128 7.50258 5.97548 5.36278 7.34641 5.28538 8.53135 5.82508 6.69806 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.76585 6.95983 8.84944 11.3999 7.21995 12.0149 14.0003 7.67459 11.3412 5.88097 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 9.76585 11.3999 7.21995 6.95983 8.84944 12.0149 14.0003 7.67459 5.88097 11.3412 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 8.95571 11.806 9.24055 12.3757 9.66898 7.02539 10.0549 9.34552 12.3514 7.15478 numMergedOcc 0
5 mol 55 unq 0 iso 1 dist 8.95571 12.3757 9.66898 11.806 9.24055 7.02539 10.0549 9.34552 7.15478 12.3514 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.94667 9.38462 9.04549 4.09314 7.11706 10.665 5.19953 7.97386 5.85694 5.50809 numMergedOcc 0
7 mol 61 unq 0 iso 1 dist 7.94667 4.09314 7.11706 9.38462 9.04549 10.665 5.19953 7.97386 5.50809 5.85694 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 7.94667 9.38462 9.04549 4.09314 7.11706 10.665 9.4996 8.3814 9.84981 6.58099 numMergedOcc 0
9 mol 61 unq 1 iso 1 dist 7.94667 4.09314 7.11706 9.38462 9.04549 10.665 9.4996 8.3814 6.58099 9.84981 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 8.62244 10.5984 7.15248 9.67456 8.43162 5.55985 7.5068 9.8048 12.8718 9.08666 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 8.62244 9.67456 8.43162 10.5984 7.15248 5.55985 7.5068 9.8048 9.08666 12.8718 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 14.685 7.48127 10.0928 9.81264 9.26231 10.2556 8.90561 numMergedOcc 0
13 mol 76 unq 0 iso 1 dist 8.92491 14.685 7.48127 8.04327 5.73235 10.0928 9.81264 9.26231 8.90561 10.2556 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 7.41861 7.7047 5.73235 4.00834 7.48127 10.0928 7.01534 9.26231 10.2556 8.90561 numMergedOcc 0
15 mol 76 unq 1 iso 1 dist 7.41861 4.00834 7.48127 7.7047 5.73235 10.0928 7.01534 9.26231 8.90561 10.2556 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.66811 7.14779 9.65031 9.85198 8.51844 11.2441 6.72526 9.27341 12.1354 6.67687 numMergedOcc 0
17 mol 152 unq 0 iso 1 dist 9.66811 9.85198 8.51844 7.14779 9.65031 11.2441 6.72526 9.27341 6.67687 12.1354 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 4.53228 10.9464 8.26312 6.54316 7.58554 7.99748 4.53635 7.10828 13.8702 8.46058 numMergedOcc 0
19 mol 239 unq 0 iso 1 dist 4.53228 6.54316 7.58554 10.9464 8.26312 7.99748 4.53635 7.10828 8.46058 13.8702 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 8.54078 10.4394 8.26312 6.2497 7.58554 7.99748 9.93977 7.10828 13.8702 8.46058 numMergedOcc 0
21 mol 239 unq 1 iso 1 dist 8.54078 6.2497 7.58554 10.4394 8.26312 7.99748 9.93977 7.10828 8.46058 13.8702 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 9.88044 7.15398 8.51703 6.13352 5.07895 6.53265 6.8934 8.59384 11.6337 5.95822 numMergedOcc 0
23 mol 250 unq 0 iso 1 dist 9.88044 6.13352 5.07895 7.15398 8.51703 6.53265 6.8934 8.59384 5.95822 11.6337 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 9.4943 5.71611 6.37998 7.88101 9.77023 8.23817 8.68925 8.46311 9.503 14.1763 numMergedOcc 0
25 mol 294 unq 0 iso 1 dist 9.4943 7.88101 9.77023 5.71611 6.37998 8.23817 8.68925 8.46311 14.1763 9.503 numMergedOcc 0
