0 mol 25 unq 0 iso 0 dist 9.80157 9.40763 12.4427 4.85063 6.80822 9.43699 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 4.4866 8.46313 6.66385 6.85145 9.20885 14.1565 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.68303 9.74289 13.0823 4.55484 8.18002 7.96497 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.68303 9.74289 13.0823 6.74966 7.07032 15.7076 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 6.76977 8.70094 5.2027 8.67697 7.14313 6.33365 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.53333 6.12388 6.29219 11.6618 9.78909 14.9085 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 7.88346 9.03233 14.8495 9.73727 8.57285 17.5181 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.66519 7.53748 12.8964 13.7809 9.16691 18.4682 numMergedOcc 0
8 mol 173 unq 0 iso 0 dist 4.85278 9.72828 8.40346 6.76195 7.33162 6.98095 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 7.23572 9.60878 5.72 6.06625 8.57818 7.01383 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.17789 5.47189 12.5982 12.8874 5.80433 18.264 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 7.17789 5.47189 12.5982 12.3457 6.8285 17.1498 numMergedOcc 0
12 mol 211 unq 0 iso 0 dist 7.49132 7.66285 8.75747 5.21043 9.14958 12.3166 numMergedOcc 0
13 mol 228 unq 0 iso 0 dist 8.53297 9.46214 7.05573 9.18544 9.84486 15.2406 numMergedOcc 0
14 mol 228 unq 1 iso 0 dist 8.53297 9.46214 7.05573 13.1757 7.81837 14.3766 numMergedOcc 0
15 mol 228 unq 2 iso 0 dist 9.23333 8.81885 7.8494 10.356 9.84486 15.3061 numMergedOcc 0
16 mol 228 unq 3 iso 0 dist 9.23333 8.81885 7.8494 13.0333 7.81837 14.8616 numMergedOcc 0
17 mol 228 unq 4 iso 0 dist 6.02491 9.51602 5.84747 5.33031 9.84486 14.5461 numMergedOcc 0
18 mol 228 unq 5 iso 0 dist 6.02491 9.51602 5.84747 5.55391 7.81837 7.65132 numMergedOcc 0
19 mol 228 unq 6 iso 0 dist 9.21065 8.89311 8.07826 12.8284 7.97746 15.0933 numMergedOcc 0
20 mol 228 unq 7 iso 0 dist 5.89577 9.46214 5.70777 5.86537 7.97746 7.94506 numMergedOcc 0
21 mol 228 unq 8 iso 0 dist 8.6694 9.51602 7.18261 13.673 7.97746 14.7577 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 8.41604 9.39439 7.92104 6.99665 5.64376 9.43203 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 7.73969 6.67907 5.52669 9.3775 5.77356 10.6445 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 7.73969 6.67907 5.52669 4.59056 9.24309 10.5433 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 7.73969 6.0087 5.27568 9.3775 5.77356 7.17676 numMergedOcc 0
26 mol 236 unq 3 iso 0 dist 7.73969 6.0087 5.27568 4.59056 9.24309 6.68463 numMergedOcc 0
27 mol 236 unq 4 iso 0 dist 6.25412 9.85618 10.1651 4.99523 9.88216 12.3502 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.27225 8.14812 4.6881 4.7348 6.73928 6.49982 numMergedOcc 0
29 mol 281 unq 0 iso 0 dist 5.53313 8.32692 5.81338 4.55784 7.82968 10.0734 numMergedOcc 0
