0 mol 6 unq 0 iso 0 dist 9.12796 6.1462 4.09396 6.36157 8.60722 8.54844 9.56016 6.51566 8.56432 4.75733 numMergedOcc 0
1 mol 6 unq 0 iso 1 dist 6.1462 9.12796 4.09396 6.36157 8.54844 8.60722 9.56016 8.56432 6.51566 4.75733 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 9.50179 6.72231 7.62467 8.6232 5.89271 5.10048 7.63222 6.55764 3.5175 7.04837 numMergedOcc 0
3 mol 21 unq 0 iso 1 dist 6.72231 9.50179 7.62467 8.6232 5.10048 5.89271 7.63222 3.5175 6.55764 7.04837 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.36915 6.01454 8.29103 9.53081 13.2937 5.41488 6.68961 10.9119 6.1565 5.93341 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 6.01454 8.36915 8.29103 9.53081 5.41488 13.2937 6.68961 6.1565 10.9119 5.93341 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 5.12189 7.50126 11.0817 9.2759 10.8516 5.35551 5.9959 6.95933 5.30466 4.85121 numMergedOcc 0
7 mol 133 unq 0 iso 1 dist 7.50126 5.12189 11.0817 9.2759 5.35551 10.8516 5.9959 5.30466 6.95933 4.85121 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 7.85526 5.33543 5.63574 9.88178 6.01484 10.6104 5.20195 4.77133 4.56331 7.45747 numMergedOcc 0
9 mol 134 unq 0 iso 1 dist 5.33543 7.85526 5.63574 9.88178 10.6104 6.01484 5.20195 4.56331 4.77133 7.45747 numMergedOcc 0
10 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 6.97426 4.73988 4.78255 7.5808 11.3121 13.5418 9.46802 numMergedOcc 0
11 mol 223 unq 0 iso 1 dist 9.14789 9.29204 4.44825 6.97426 4.78255 4.73988 7.5808 13.5418 11.3121 9.46802 numMergedOcc 0
12 mol 223 unq 1 iso 0 dist 9.29204 9.14789 4.44825 8.87456 8.36102 5.43913 7.5808 11.3121 13.5418 13.1129 numMergedOcc 0
13 mol 223 unq 1 iso 1 dist 9.14789 9.29204 4.44825 8.87456 5.43913 8.36102 7.5808 13.5418 11.3121 13.1129 numMergedOcc 0
14 mol 223 unq 2 iso 0 dist 9.29204 7.80764 16.0208 6.97426 4.73988 12.6805 7.5808 11.3121 7.74459 9.46802 numMergedOcc 0
15 mol 223 unq 2 iso 1 dist 7.80764 9.29204 16.0208 6.97426 12.6805 4.73988 7.5808 7.74459 11.3121 9.46802 numMergedOcc 0
16 mol 223 unq 3 iso 0 dist 9.29204 7.80764 16.0208 8.87456 8.36102 13.9763 7.5808 11.3121 7.74459 13.1129 numMergedOcc 0
17 mol 223 unq 3 iso 1 dist 7.80764 9.29204 16.0208 8.87456 13.9763 8.36102 7.5808 7.74459 11.3121 13.1129 numMergedOcc 0
18 mol 223 unq 4 iso 0 dist 9.29204 5.75896 11.898 6.97426 4.73988 10.6184 7.5808 11.3121 4.53638 9.46802 numMergedOcc 0
19 mol 223 unq 4 iso 1 dist 5.75896 9.29204 11.898 6.97426 10.6184 4.73988 7.5808 4.53638 11.3121 9.46802 numMergedOcc 0
20 mol 223 unq 5 iso 0 dist 9.29204 5.75896 11.898 8.87456 8.36102 13.8469 7.5808 11.3121 4.53638 13.1129 numMergedOcc 0
21 mol 223 unq 5 iso 1 dist 5.75896 9.29204 11.898 8.87456 13.8469 8.36102 7.5808 4.53638 11.3121 13.1129 numMergedOcc 0
22 mol 223 unq 2 iso 0 dist 9.14789 7.80764 16.2327 6.97426 4.78255 12.6805 7.5808 13.5418 7.74459 9.46802 numMergedOcc 0
23 mol 223 unq 2 iso 1 dist 7.80764 9.14789 16.2327 6.97426 12.6805 4.78255 7.5808 7.74459 13.5418 9.46802 numMergedOcc 0
24 mol 223 unq 3 iso 0 dist 9.14789 7.80764 16.2327 8.87456 5.43913 13.9763 7.5808 13.5418 7.74459 13.1129 numMergedOcc 0
25 mol 223 unq 3 iso 1 dist 7.80764 9.14789 16.2327 8.87456 13.9763 5.43913 7.5808 7.74459 13.5418 13.1129 numMergedOcc 0
26 mol 223 unq 4 iso 0 dist 9.14789 5.75896 13.5741 6.97426 4.78255 10.6184 7.5808 13.5418 4.53638 9.46802 numMergedOcc 0
27 mol 223 unq 4 iso 1 dist 5.75896 9.14789 13.5741 6.97426 10.6184 4.78255 7.5808 4.53638 13.5418 9.46802 numMergedOcc 0
28 mol 223 unq 5 iso 0 dist 9.14789 5.75896 13.5741 8.87456 5.43913 13.8469 7.5808 13.5418 4.53638 13.1129 numMergedOcc 0
29 mol 223 unq 5 iso 1 dist 5.75896 9.14789 13.5741 8.87456 13.8469 5.43913 7.5808 4.53638 13.5418 13.1129 numMergedOcc 0
30 mol 223 unq 4 iso 0 dist 7.80764 5.75896 7.12929 6.97426 12.6805 10.6184 7.5808 7.74459 4.53638 9.46802 numMergedOcc 0
31 mol 223 unq 4 iso 1 dist 5.75896 7.80764 7.12929 6.97426 10.6184 12.6805 7.5808 4.53638 7.74459 9.46802 numMergedOcc 0
32 mol 223 unq 5 iso 0 dist 7.80764 5.75896 7.12929 8.87456 13.9763 13.8469 7.5808 7.74459 4.53638 13.1129 numMergedOcc 0
33 mol 223 unq 5 iso 1 dist 5.75896 7.80764 7.12929 8.87456 13.8469 13.9763 7.5808 4.53638 7.74459 13.1129 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 8.10903 10.8957 5.27718 9.6327 6.49094 8.08023 8.78474 numMergedOcc 0
35 mol 258 unq 0 iso 1 dist 7.70189 6.08181 9.86352 8.10903 5.27718 10.8957 9.6327 8.08023 6.49094 8.78474 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 6.08181 7.70189 9.86352 7.25618 11.0025 9.46467 9.6327 6.49094 8.08023 11.3267 numMergedOcc 0
37 mol 258 unq 1 iso 1 dist 7.70189 6.08181 9.86352 7.25618 9.46467 11.0025 9.6327 8.08023 6.49094 11.3267 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.91916 4.55368 4.70261 8.54422 6.40534 6.14631 8.40328 10.2743 7.06301 11.0103 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 4.55368 8.91916 4.70261 8.54422 6.14631 6.40534 8.40328 7.06301 10.2743 11.0103 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 8.91916 4.55368 4.70261 8.54422 6.40534 6.14631 8.2518 11.46 7.80863 10.099 numMergedOcc 0
41 mol 259 unq 1 iso 1 dist 4.55368 8.91916 4.70261 8.54422 6.14631 6.40534 8.2518 7.80863 11.46 10.099 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 8.91916 4.55368 4.70261 7.67473 9.57286 6.89689 8.40328 10.2743 7.06301 8.71577 numMergedOcc 0
43 mol 259 unq 2 iso 1 dist 4.55368 8.91916 4.70261 7.67473 6.89689 9.57286 8.40328 7.06301 10.2743 8.71577 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 8.91916 4.55368 4.70261 7.67473 9.57286 6.89689 8.2518 11.46 7.80863 6.47425 numMergedOcc 0
45 mol 259 unq 3 iso 1 dist 4.55368 8.91916 4.70261 7.67473 6.89689 9.57286 8.2518 7.80863 11.46 6.47425 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 8.61786 8.42706 11.4983 8.8646 9.94141 3.93133 8.62843 11.9611 11.8531 9.70494 numMergedOcc 0
47 mol 266 unq 0 iso 1 dist 8.42706 8.61786 11.4983 8.8646 3.93133 9.94141 8.62843 11.8531 11.9611 9.70494 numMergedOcc 0
48 mol 266 unq 1 iso 0 dist 9.63694 6.58277 15.3443 6.57444 13.1376 5.91091 8.95841 6.96111 11.8531 10.6488 numMergedOcc 0
49 mol 266 unq 1 iso 1 dist 6.58277 9.63694 15.3443 6.57444 5.91091 13.1376 8.95841 11.8531 6.96111 10.6488 numMergedOcc 0
50 mol 266 unq 2 iso 0 dist 9.63694 6.58277 15.3443 7.9555 14.6225 3.93133 8.95841 6.96111 11.8531 9.70494 numMergedOcc 0
51 mol 266 unq 2 iso 1 dist 6.58277 9.63694 15.3443 7.9555 3.93133 14.6225 8.95841 11.8531 6.96111 9.70494 numMergedOcc 0
52 mol 283 unq 0 iso 0 dist 8.3815 7.13925 11.1685 5.71075 4.87508 7.75306 9.19367 8.97643 11.6244 5.62752 numMergedOcc 0
53 mol 283 unq 0 iso 1 dist 7.13925 8.3815 11.1685 5.71075 7.75306 4.87508 9.19367 11.6244 8.97643 5.62752 numMergedOcc 0
