0 mol 13 unq 0 iso 0 dist 7.68531 8.66515 5.58571 8.54188 8.5226 12.1518 10.3134 6.00107 8.27119 6.54276 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 9.78763 7.94697 4.52409 11.2863 6.22059 9.53663 14.5186 7.1229 10.9472 3.71228 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 9.78763 7.94697 4.52409 11.2863 6.22059 9.53663 8.57407 9.36388 8.96045 7.58448 numMergedOcc 0
3 mol 107 unq 0 iso 0 dist 7.06322 4.99934 3.35244 9.06016 8.83855 9.8143 4.05182 6.71858 5.31375 6.31693 numMergedOcc 0
4 mol 107 unq 1 iso 0 dist 7.06322 4.99934 3.35244 9.06016 8.83855 9.8143 4.11617 9.37159 6.49371 13.1278 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 5.6738 6.38269 4.62493 12.0115 9.43487 7.96893 7.16792 6.41507 10.4698 13.1684 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 5.6738 6.38269 4.62493 12.0115 9.43487 7.96893 7.6316 6.03035 8.67025 8.60362 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 5.6738 6.38269 4.62493 13.077 9.97052 12.376 7.16792 6.41507 10.4698 9.20774 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 5.6738 6.38269 4.62493 13.077 9.97052 12.376 7.6316 6.03035 8.67025 5.56591 numMergedOcc 0
9 mol 113 unq 4 iso 0 dist 5.6738 6.38269 4.62493 12.0928 7.3324 10.1843 7.16792 6.41507 10.4698 10.6893 numMergedOcc 0
10 mol 113 unq 5 iso 0 dist 5.6738 6.38269 4.62493 12.0928 7.3324 10.1843 7.6316 6.03035 8.67025 12.0012 numMergedOcc 0
11 mol 113 unq 6 iso 0 dist 5.6738 7.11196 6.47997 12.0115 9.43487 10.3461 7.16792 6.41507 12.2528 13.1684 numMergedOcc 0
12 mol 113 unq 7 iso 0 dist 5.6738 7.11196 6.47997 12.0115 9.43487 10.3461 7.6316 6.03035 11.1678 8.60362 numMergedOcc 0
13 mol 113 unq 8 iso 0 dist 5.6738 7.11196 6.47997 13.077 9.97052 15.0956 7.16792 6.41507 12.2528 9.20774 numMergedOcc 0
14 mol 113 unq 9 iso 0 dist 5.6738 7.11196 6.47997 13.077 9.97052 15.0956 7.6316 6.03035 11.1678 5.56591 numMergedOcc 0
15 mol 113 unq 10 iso 0 dist 5.6738 7.11196 6.47997 12.0928 7.3324 10.8312 7.16792 6.41507 12.2528 10.6893 numMergedOcc 0
16 mol 113 unq 11 iso 0 dist 5.6738 7.11196 6.47997 12.0928 7.3324 10.8312 7.6316 6.03035 11.1678 12.0012 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.99965 8.94445 3.93866 10.0631 9.33272 12.983 6.7954 7.54492 11.4037 3.6848 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.65437 6.15671 9.66765 5.21233 7.03647 9.64364 7.03597 6.23614 11.3832 6.04066 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 8.93788 7.51951 16.0845 10.204 7.01175 16.7099 12.6556 9.0654 18.3136 4.06041 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 8.93788 7.51951 16.0845 13.1038 7.50074 20.4771 12.6556 9.0654 18.3136 9.59994 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 14.1553 9.62446 8.06767 10.8556 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 4.60276 9.99681 9.91087 10.4719 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 14.1553 9.62446 8.06767 12.7029 numMergedOcc 0
24 mol 287 unq 3 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 4.60276 9.99681 9.91087 5.57075 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 14.1553 9.62446 8.06767 10.8556 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 4.60276 9.99681 9.91087 10.4719 numMergedOcc 0
27 mol 288 unq 2 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 14.1553 9.62446 8.06767 12.7029 numMergedOcc 0
28 mol 288 unq 3 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 4.60276 9.99681 9.91087 5.57075 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 14.1553 9.62446 8.06767 10.8556 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 4.60276 9.99681 9.91087 10.4719 numMergedOcc 0
31 mol 289 unq 2 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 14.1553 9.62446 8.06767 12.7029 numMergedOcc 0
32 mol 289 unq 3 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 4.60276 9.99681 9.91087 5.57075 numMergedOcc 0
