0 mol 30 unq 0 iso 0 dist 9.50224 8.66233 4.98139 9.67564 9.10395 4.95244 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 7.52742 9.37034 4.77114 6.24296 8.175 7.74857 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 7.52742 9.37034 4.77114 6.83218 9.3414 10.4876 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 7.52742 6.60091 4.4924 6.24296 8.175 9.36582 numMergedOcc 0
4 mol 85 unq 3 iso 0 dist 7.52742 6.60091 4.4924 6.83218 9.3414 8.8983 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.52936 8.29601 13.1199 8.72835 17.5103 8.28572 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.4081 9.11115 4.79997 8.0675 9.97278 10.6733 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.86236 8.96628 8.15449 8.29463 10.4664 6.55074 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.56629 6.24768 8.52343 6.99944 9.33056 5.77115 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.56629 9.31875 12.1942 6.99944 9.33056 9.75449 numMergedOcc 0
10 mol 116 unq 2 iso 0 dist 7.56091 6.24768 5.93763 6.99944 4.01797 5.77115 numMergedOcc 0
11 mol 116 unq 3 iso 0 dist 7.56091 9.31875 10.3148 6.99944 4.01797 9.75449 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.78382 9.20977 4.8602 9.15119 8.85207 6.28632 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.06541 9.83024 16.5906 9.04035 9.72425 15.1579 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.64578 9.19442 15.2068 6.58055 6.34948 11.1207 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 7.02833 9.19442 5.22517 6.58055 9.42722 11.1207 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 9.74822 8.57375 11.4035 8.106 9.46362 5.55396 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 5.06731 4.75392 6.45653 9.98518 11.2805 14.5058 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 5.06731 8.61667 9.67944 9.98518 11.2805 16.8571 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 5.06731 4.75392 6.45653 9.98518 11.2805 14.5058 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 5.06731 8.61667 9.67944 9.98518 11.2805 16.8571 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 5.06731 4.75392 6.45653 9.98518 11.2805 14.5058 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 5.06731 8.61667 9.67944 9.98518 11.2805 16.8571 numMergedOcc 0
