0 mol 13 unq 0 iso 0 dist 5.4424 14.2898 9.57675 9.76679 4.42362 5.99004 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.4424 14.2898 9.57675 18.8272 14.6855 9.65051 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.23298 4.31746 6.58279 13.4474 12.9715 9.67641 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 9.85405 7.58981 6.58279 17.1675 12.9715 9.67641 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.87177 14.8438 5.30477 13.3826 5.76533 7.80375 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.70925 7.25285 5.30477 12.3343 5.76533 7.80375 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.95756 5.90782 5.30477 13.3534 5.76533 7.80375 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.52125 12.9454 9.95103 18.2449 13.5986 6.36749 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.28955 4.09788 6.13508 8.27253 4.92027 8.05937 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.44788 6.49348 5.58734 13.149 5.94065 9.21645 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.95914 13.2639 7.35385 17.9386 13.1656 7.38183 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.00651 7.38323 5.08863 12.3855 6.65747 8.89361 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.76275 13.5286 9.62138 19.5976 11.1431 9.18176 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 9.48142 4.04072 9.57242 10.849 5.82716 8.68243 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 5.40655 6.26644 8.56136 12.923 11.6282 8.94849 numMergedOcc 0
15 mol 185 unq 1 iso 0 dist 5.40655 6.26644 8.56136 7.18997 4.66784 8.7695 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 6.14732 4.21811 8.61546 10.5265 13.2881 9.90065 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 6.14732 11.032 7.17024 13.9448 10.9434 8.91452 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.99525 9.77057 9.92671 11.4825 6.26321 6.71099 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 9.20965 9.30551 9.92671 11.7415 6.26321 6.71099 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.89116 7.31632 5.98438 10.7559 4.96479 7.74534 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 8.28364 10.9686 5.98438 11.1564 4.96479 7.74534 numMergedOcc 0
