0 mol 24 unq 0 iso 0 dist 5.22014 10.212 7.27472 7.12394 7.96195 10.0655 6.40189 3.73215 8.87744 11.3572 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.06898 10.6266 6.24711 11.2894 9.58596 14.0576 7.93454 3.39994 7.18022 11.6541 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 7.06277 6.529 7.47974 9.1427 6.65534 6.52312 9.55954 7.04263 6.53308 10.1877 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 9.2594 7.27506 14.484 12.6856 8.00584 9.74607 14.9005 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.0675 9.7565 9.3948 6.85756 7.27506 14.484 14.3138 8.00584 9.74607 14.9005 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.44426 4.70157 5.92242 10.2492 8.75597 13.4985 7.63284 9.6331 7.02507 13.4099 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.44426 4.70157 5.92242 11.6279 9.18457 7.89505 7.63284 9.6331 7.02507 13.8389 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.44426 6.21302 5.2571 10.2492 8.75597 6.934 10.877 6.70343 7.54889 12.2279 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.44426 6.21302 5.2571 11.6279 9.18457 13.1975 10.877 6.70343 7.54889 9.14707 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.44426 11.2075 8.7497 10.2492 8.75597 7.17433 10.877 6.70343 7.78931 12.2279 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 5.44426 11.2075 8.7497 11.6279 9.18457 15.9953 10.877 6.70343 7.78931 9.14707 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.65429 9.9123 7.54889 12.6299 6.83746 13.9572 13.0419 6.70343 5.2571 11.6715 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.65429 9.9123 7.54889 16.0106 9.14707 13.1975 13.0419 6.70343 5.2571 9.18457 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 8.65429 8.49566 7.78931 12.6299 6.83746 14.5341 13.0419 6.70343 8.7497 11.6715 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 8.65429 8.49566 7.78931 16.0106 9.14707 15.9953 13.0419 6.70343 8.7497 9.18457 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.8564 14.9183 8.69531 13.8319 5.11043 5.12325 8.91647 5.83782 9.1998 6.99345 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.28282 11.3614 7.2793 6.63507 8.31881 6.87725 10.9209 3.47886 9.51091 11.7345 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.28282 11.3614 7.2793 6.63507 8.31881 6.87725 17.6973 12.5618 7.85184 12.1449 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.9002 6.7444 6.50998 16.1718 9.57955 10.6484 12.539 8.05944 9.09424 8.79277 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 7.9002 6.7444 6.50998 16.1718 9.57955 10.6484 13.4564 13.7858 8.14831 13.1568 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 7.9002 6.7444 6.50998 8.96094 9.87668 4.76151 12.539 8.05944 9.09424 8.42121 numMergedOcc 0
21 mol 225 unq 3 iso 0 dist 7.9002 6.7444 6.50998 8.96094 9.87668 4.76151 13.4564 13.7858 8.14831 4.98402 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 7.38159 9.11454 11.5211 14.1068 4.8835 6.29377 11.9508 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 9.42801 10.8094 5.1823 7.38159 9.11454 6.65703 14.1068 4.8835 5.70635 11.9508 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.13412 14.0055 9.46442 6.13368 9.2558 9.84292 10.5082 3.57128 7.30758 9.84946 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.13412 14.0055 9.46442 6.13368 9.2558 9.84292 19.8921 11.3907 9.5785 17.3369 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 9.13412 14.0055 9.46442 6.13368 9.2558 9.84292 20.5437 13.609 9.76319 16.4043 numMergedOcc 0
