0 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 7.34641 14.2409 7.50258 6.69806 12.5461 8.53135 5.82508 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 7.59945 10.9115 5.45684 5.65551 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 7.8986 8.52643 7.05519 5.76037 7.24183 5.41357 13.3239 14.6782 7.76644 9.81422 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 7.8986 9.75299 8.49962 5.76037 7.24183 9.30042 7.59945 10.9115 7.66372 5.65551 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 7.8986 9.75299 8.49962 5.76037 7.24183 9.30042 13.3239 14.6782 9.99743 9.81422 numMergedOcc 0
5 mol 64 unq 4 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 5.65551 10.9115 5.45684 7.59945 numMergedOcc 0
6 mol 64 unq 5 iso 0 dist 7.24183 5.41357 7.05519 5.76037 7.8986 8.52643 9.81422 14.6782 7.76644 13.3239 numMergedOcc 0
7 mol 64 unq 6 iso 0 dist 7.24183 9.30042 8.49962 5.76037 7.8986 9.75299 5.65551 10.9115 7.66372 7.59945 numMergedOcc 0
8 mol 64 unq 7 iso 0 dist 7.24183 9.30042 8.49962 5.76037 7.8986 9.75299 9.81422 14.6782 9.99743 13.3239 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 10.0928 12.4201 7.48127 10.2556 13.6767 9.26231 8.90561 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 8.73614 12.7279 9.13339 5.00766 9.74209 6.55217 5.90456 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 11.6064 18.2835 9.8755 6.27901 14.2061 7.8052 7.00425 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 8.2197 7.21397 10.5947 8.33453 12.18 8.46714 6.27901 14.2061 7.8052 9.20479 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 5.49559 11.537 9.04741 8.8161 14.6984 8.96263 9.46987 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 7.58998 6.23677 6.88745 5.92863 12.3857 7.31608 8.8161 14.6984 8.96263 3.92881 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 8.71944 8.82663 5.45067 10.9623 11.168 7.96226 11.6942 12.0757 7.35677 3.92881 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 7.99748 10.2589 8.26312 8.46058 8.01565 7.10828 13.8702 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 6.08181 7.25618 11.0025 7.64421 13.3732 8.70193 5.79358 10.9114 9.65711 7.88062 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 7.70189 7.25618 9.46467 7.64421 12.9422 8.70193 5.79358 6.59521 9.65711 7.88062 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 4.70691 14.3042 6.0437 5.03102 11.7325 9.38192 6.8395 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 9.70222 4.85199 10.6318 4.70691 14.3042 6.0437 6.40309 13.5235 6.99444 6.29331 numMergedOcc 0
21 mol 261 unq 2 iso 0 dist 9.70222 4.85199 10.6318 6.43452 9.71882 9.13604 5.03102 11.7325 9.38192 9.37836 numMergedOcc 0
22 mol 261 unq 3 iso 0 dist 9.70222 4.85199 10.6318 6.43452 9.71882 9.13604 6.40309 13.5235 6.99444 5.91745 numMergedOcc 0
23 mol 261 unq 4 iso 0 dist 9.71882 9.13604 10.6318 9.51335 14.3042 6.0437 9.37836 11.7325 9.38192 6.8395 numMergedOcc 0
24 mol 261 unq 5 iso 0 dist 9.71882 9.13604 10.6318 9.51335 14.3042 6.0437 5.91745 13.5235 6.99444 6.29331 numMergedOcc 0
25 mol 261 unq 6 iso 0 dist 9.71882 9.13604 10.6318 6.43452 9.70222 4.85199 9.37836 11.7325 9.38192 5.03102 numMergedOcc 0
26 mol 261 unq 7 iso 0 dist 9.71882 9.13604 10.6318 6.43452 9.70222 4.85199 5.91745 13.5235 6.99444 6.40309 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 4.79603 13.2778 6.04225 6.38947 12.7565 6.51248 6.0405 numMergedOcc 0
28 mol 282 unq 1 iso 0 dist 8.61456 5.00258 9.80233 5.92133 8.41041 8.22117 6.38947 12.7565 6.51248 5.98603 numMergedOcc 0
29 mol 282 unq 2 iso 0 dist 8.41041 8.22117 9.80233 9.24679 13.2778 6.04225 5.98603 12.7565 6.51248 6.0405 numMergedOcc 0
30 mol 282 unq 3 iso 0 dist 8.41041 8.22117 9.80233 5.92133 8.61456 5.00258 5.98603 12.7565 6.51248 6.38947 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 5.76337 9.77023 7.87494 8.23817 9.47998 6.37998 14.1763 15.144 8.46311 9.503 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 9.39625 9.77023 11.4878 8.23817 13.3652 6.37998 14.1763 19.3391 8.46311 9.503 numMergedOcc 0
