0 mol 15 unq 0 iso 0 dist 7.12903 8.28153 4.25929 9.03536 8.21493 11.7793 5.55659 8.96967 11.7266 5.01321 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.26899 9.4278 13.4402 7.08557 9.33535 16.4015 6.75888 8.80108 13.2217 6.78077 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.40841 8.34191 3.8375 11.0466 7.58407 9.9779 4.55117 8.80108 8.88313 14.7581 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 6.40841 8.34191 3.8375 11.0466 7.58407 9.9779 5.64209 6.50297 7.07522 8.74789 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 6.40841 8.34191 3.8375 5.90225 6.31428 9.79064 4.55117 8.80108 8.88313 10.3782 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 6.40841 8.34191 3.8375 5.90225 6.31428 9.79064 5.64209 6.50297 7.07522 7.02095 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 6.40841 6.39747 6.11446 11.0466 7.58407 13.5879 4.55117 8.80108 5.48837 14.7581 numMergedOcc 0
7 mol 58 unq 6 iso 0 dist 6.40841 6.39747 6.11446 11.0466 7.58407 13.5879 5.64209 6.50297 9.15753 8.74789 numMergedOcc 0
8 mol 58 unq 7 iso 0 dist 6.40841 6.39747 6.11446 5.90225 6.31428 10.307 4.55117 8.80108 5.48837 10.3782 numMergedOcc 0
9 mol 58 unq 8 iso 0 dist 6.40841 6.39747 6.11446 5.90225 6.31428 10.307 5.64209 6.50297 9.15753 7.02095 numMergedOcc 0
10 mol 58 unq 9 iso 0 dist 8.63333 9.23438 4.43437 5.35073 8.89374 7.17488 10.6476 6.96494 11.1006 12.7331 numMergedOcc 0
11 mol 58 unq 10 iso 0 dist 8.63333 9.23438 4.43437 5.35073 8.89374 7.17488 5.92889 7.01363 8.98478 7.05413 numMergedOcc 0
12 mol 58 unq 11 iso 0 dist 8.63333 9.23438 4.43437 10.8153 6.46761 6.79356 10.6476 6.96494 11.1006 8.74789 numMergedOcc 0
13 mol 58 unq 12 iso 0 dist 8.63333 9.23438 4.43437 10.8153 6.46761 6.79356 5.92889 7.01363 8.98478 6.61756 numMergedOcc 0
14 mol 58 unq 13 iso 0 dist 8.63333 9.23438 4.43437 14.5953 9.73139 12.2384 10.6476 6.96494 11.1006 7.02095 numMergedOcc 0
15 mol 58 unq 14 iso 0 dist 8.63333 9.23438 4.43437 14.5953 9.73139 12.2384 5.92889 7.01363 8.98478 8.94672 numMergedOcc 0
16 mol 58 unq 15 iso 0 dist 8.89374 7.17488 4.43437 5.35073 8.63333 9.23438 12.7331 6.96494 11.1006 10.6476 numMergedOcc 0
17 mol 58 unq 16 iso 0 dist 8.89374 7.17488 4.43437 5.35073 8.63333 9.23438 7.05413 7.01363 8.98478 5.92889 numMergedOcc 0
18 mol 58 unq 17 iso 0 dist 8.89374 7.17488 4.43437 8.62958 6.46761 6.79356 12.7331 6.96494 11.1006 8.74789 numMergedOcc 0
19 mol 58 unq 18 iso 0 dist 8.89374 7.17488 4.43437 8.62958 6.46761 6.79356 7.05413 7.01363 8.98478 6.61756 numMergedOcc 0
20 mol 58 unq 19 iso 0 dist 8.89374 7.17488 4.43437 14.176 9.73139 12.2384 12.7331 6.96494 11.1006 7.02095 numMergedOcc 0
21 mol 58 unq 20 iso 0 dist 8.89374 7.17488 4.43437 14.176 9.73139 12.2384 7.05413 7.01363 8.98478 8.94672 numMergedOcc 0
22 mol 58 unq 21 iso 0 dist 6.46761 6.79356 4.43437 10.8153 8.63333 9.23438 8.74789 6.96494 11.1006 10.6476 numMergedOcc 0
23 mol 58 unq 22 iso 0 dist 6.46761 6.79356 4.43437 10.8153 8.63333 9.23438 6.61756 7.01363 8.98478 5.92889 numMergedOcc 0
24 mol 58 unq 23 iso 0 dist 6.46761 6.79356 4.43437 8.62958 8.89374 7.17488 8.74789 6.96494 11.1006 12.7331 numMergedOcc 0
25 mol 58 unq 24 iso 0 dist 6.46761 6.79356 4.43437 8.62958 8.89374 7.17488 6.61756 7.01363 8.98478 7.05413 numMergedOcc 0
26 mol 58 unq 25 iso 0 dist 6.46761 6.79356 4.43437 6.47414 9.73139 12.2384 8.74789 6.96494 11.1006 7.02095 numMergedOcc 0
27 mol 58 unq 26 iso 0 dist 6.46761 6.79356 4.43437 6.47414 9.73139 12.2384 6.61756 7.01363 8.98478 8.94672 numMergedOcc 0
28 mol 58 unq 27 iso 0 dist 7.58407 6.79356 9.59066 11.0466 6.40841 14.8085 14.7581 8.80108 17.1013 4.55117 numMergedOcc 0
29 mol 58 unq 28 iso 0 dist 7.58407 6.79356 9.59066 11.0466 6.40841 14.8085 8.74789 6.50297 11.1006 5.64209 numMergedOcc 0
30 mol 58 unq 29 iso 0 dist 7.58407 6.79356 9.59066 6.47414 6.31428 12.2384 14.7581 8.80108 17.1013 10.3782 numMergedOcc 0
31 mol 58 unq 30 iso 0 dist 7.58407 6.79356 9.59066 6.47414 6.31428 12.2384 8.74789 6.50297 11.1006 7.02095 numMergedOcc 0
32 mol 72 unq 0 iso 0 dist 8.624 8.26541 10.4337 5.36766 6.77912 4.86198 6.00418 9.19459 10.3769 9.0131 numMergedOcc 0
33 mol 72 unq 1 iso 0 dist 6.77912 4.86198 10.4337 5.36766 8.624 8.26541 9.0131 9.19459 10.3769 6.00418 numMergedOcc 0
34 mol 114 unq 0 iso 0 dist 8.71128 9.93438 5.80637 5.59517 7.52743 10.7946 9.2907 7.36816 9.26486 5.33327 numMergedOcc 0
35 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 11.279 6.192 11.2241 4.77464 6.3244 7.79077 8.00931 numMergedOcc 0
36 mol 127 unq 1 iso 0 dist 8.59981 5.39356 6.92548 11.4958 7.69308 13.1015 4.77464 6.3244 7.79077 6.85862 numMergedOcc 0
37 mol 127 unq 2 iso 0 dist 8.59981 5.39356 6.92548 5.55757 7.66331 5.01504 4.77464 6.3244 7.79077 7.11695 numMergedOcc 0
38 mol 127 unq 3 iso 0 dist 8.59981 9.92746 16.8777 11.279 6.192 20.6774 4.77464 6.3244 14.5349 8.00931 numMergedOcc 0
39 mol 127 unq 4 iso 0 dist 8.59981 9.92746 16.8777 11.4958 7.69308 21.3361 4.77464 6.3244 14.5349 6.85862 numMergedOcc 0
40 mol 127 unq 5 iso 0 dist 8.59981 9.92746 16.8777 5.55757 7.66331 12.7755 4.77464 6.3244 14.5349 7.11695 numMergedOcc 0
41 mol 127 unq 6 iso 0 dist 7.66331 5.01504 6.92548 8.77327 6.192 11.2241 7.11695 6.3244 7.79077 8.00931 numMergedOcc 0
42 mol 127 unq 7 iso 0 dist 7.66331 5.01504 6.92548 11.521 7.69308 13.1015 7.11695 6.3244 7.79077 6.85862 numMergedOcc 0
43 mol 127 unq 8 iso 0 dist 7.66331 5.01504 6.92548 5.55757 8.59981 5.39356 7.11695 6.3244 7.79077 4.77464 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 6.93652 7.46621 5.72856 5.67306 9.54444 10.8694 7.57216 6.2135 6.40751 6.96143 numMergedOcc 0
45 mol 213 unq 0 iso 0 dist 9.59129 8.82761 14.9475 13.7995 8.45368 19.0008 12.2579 8.74171 11.9668 11.1059 numMergedOcc 0
46 mol 218 unq 0 iso 0 dist 7.17547 6.1896 10.7049 7.83217 7.13323 13.5775 4.54272 8.57853 10.3208 6.8949 numMergedOcc 0
47 mol 218 unq 1 iso 0 dist 7.17547 6.1896 10.7049 7.83217 7.13323 13.5775 10.2673 6.75035 15.6032 6.60235 numMergedOcc 0
48 mol 218 unq 2 iso 0 dist 7.17547 6.09255 4.36581 7.83217 7.13323 10.0144 4.54272 8.57853 9.39609 6.8949 numMergedOcc 0
49 mol 218 unq 3 iso 0 dist 7.17547 6.09255 4.36581 7.83217 7.13323 10.0144 10.2673 6.75035 10.5989 6.60235 numMergedOcc 0
50 mol 228 unq 0 iso 0 dist 8.06181 9.25785 3.65229 5.43096 8.38048 10.7845 4.81881 8.37287 8.29523 6.5952 numMergedOcc 0
51 mol 228 unq 1 iso 0 dist 8.06181 9.25785 3.65229 11.1899 7.65132 10.6117 4.81881 8.37287 8.29523 11.1604 numMergedOcc 0
52 mol 228 unq 2 iso 0 dist 8.06181 9.25785 3.65229 5.93014 8.53764 11.3092 4.81881 8.37287 8.29523 10.1917 numMergedOcc 0
53 mol 228 unq 3 iso 0 dist 7.77367 9.01231 3.62742 5.42695 8.20909 10.7241 4.75417 8.07174 8.13557 6.53802 numMergedOcc 0
54 mol 228 unq 4 iso 0 dist 7.77367 9.01231 3.62742 11.3702 7.94506 10.8727 4.75417 8.07174 8.13557 11.0908 numMergedOcc 0
55 mol 228 unq 5 iso 0 dist 7.77367 9.01231 3.62742 6.001 8.15494 10.978 4.75417 8.07174 8.13557 10.0837 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 8.14172 8.88652 12.0336 5.31152 6.77463 6.46771 5.68826 6.00721 11.209 4.87097 numMergedOcc 0
57 mol 238 unq 1 iso 0 dist 6.77463 6.46771 12.0336 5.31152 8.14172 8.88652 4.87097 6.00721 11.209 5.68826 numMergedOcc 0
