0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 9.71584 6.10339 10.8897 14.9801 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 9.71584 6.10339 14.9801 10.8897 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 10.2774 6.50337 10.7864 9.57968 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 10.2774 6.50337 9.57968 10.7864 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.10861 16.3192 14.2075 15.2053 8.41018 11.78 22.4204 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 9.5589 8.10861 16.3192 6.83299 5.08001 14.2075 15.2053 8.41018 22.4204 11.78 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 8.04342 8.43677 14.6989 16.7028 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 8.04342 8.43677 16.7028 14.6989 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 4.32336 7.77255 10.3081 13.4885 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 4.32336 7.77255 13.4885 10.3081 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 8.04342 8.43677 14.6989 13.4491 numMergedOcc 0
11 mol 60 unq 2 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 8.04342 8.43677 13.4491 14.6989 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 4.32336 7.77255 10.3081 11.6961 numMergedOcc 0
13 mol 60 unq 3 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 4.32336 7.77255 11.6961 10.3081 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 8.04342 8.43677 16.7028 13.4491 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 8.04342 8.43677 13.4491 16.7028 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 4.32336 7.77255 13.4885 11.6961 numMergedOcc 0
17 mol 60 unq 3 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 4.32336 7.77255 11.6961 13.4885 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 10.169 5.62694 17.3112 15.7282 numMergedOcc 0
19 mol 73 unq 0 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 10.169 5.62694 15.7282 17.3112 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 11.3211 8.77199 8.81824 13.821 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 7.47541 5.73196 6.87425 7.66905 5.42586 10.1164 11.3211 8.77199 13.821 8.81824 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 11.3211 8.81824 8.77199 13.821 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 11.3211 8.81824 13.821 8.77199 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 9.35224 8.87654 7.80879 8.07597 7.98814 15.4133 15.5327 numMergedOcc 0
25 mol 100 unq 0 iso 1 dist 7.17106 9.35224 8.87654 9.60661 11.5403 7.80879 8.07597 7.98814 15.5327 15.4133 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 7.34473 8.58044 7 9.97763 8.40993 6.94915 6.62208 8.43667 13.4519 14.2582 numMergedOcc 0
27 mol 109 unq 0 iso 1 dist 7.34473 9.97763 8.40993 8.58044 7 6.94915 6.62208 8.43667 14.2582 13.4519 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.80239 6.29155 7.81217 8.00618 7.79672 11.965 5.58281 8.75049 10.6168 10.6275 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 6.80239 8.00618 7.79672 6.29155 7.81217 11.965 5.58281 8.75049 10.6275 10.6168 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.97115 8.86966 13.4958 5.7527 numMergedOcc 0
31 mol 152 unq 0 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 5.97115 8.86966 5.7527 13.4958 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 5.97115 5.7527 13.4958 8.86966 numMergedOcc 0
33 mol 152 unq 1 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 5.97115 5.7527 8.86966 13.4958 numMergedOcc 0
34 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 7.17202 11.7381 9.89739 4.43082 8.4173 9.70181 6.55543 numMergedOcc 0
35 mol 178 unq 0 iso 1 dist 6.69288 7.17202 11.7381 6.43573 5.34677 9.89739 4.43082 8.4173 6.55543 9.70181 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 6.69288 6.43573 5.34677 8.81551 14.0703 10.5529 4.43082 8.4173 9.70181 10.2965 numMergedOcc 0
37 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 6.43573 5.34677 10.5529 4.43082 8.4173 10.2965 9.70181 numMergedOcc 0
38 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 8.81551 14.0703 5.18005 4.43082 8.4173 6.55543 10.2965 numMergedOcc 0
39 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 7.17202 11.7381 5.18005 4.43082 8.4173 10.2965 6.55543 numMergedOcc 0
40 mol 178 unq 2 iso 0 dist 7.17202 6.69288 11.7381 6.43573 9.89739 5.34677 4.43082 6.55543 8.4173 9.70181 numMergedOcc 0
41 mol 178 unq 2 iso 1 dist 7.17202 6.43573 9.89739 6.69288 11.7381 5.34677 4.43082 6.55543 9.70181 8.4173 numMergedOcc 0
42 mol 178 unq 3 iso 0 dist 7.17202 6.69288 11.7381 8.81551 5.18005 14.0703 4.43082 6.55543 8.4173 10.2965 numMergedOcc 0
43 mol 178 unq 3 iso 1 dist 7.17202 8.81551 5.18005 6.69288 11.7381 14.0703 4.43082 6.55543 10.2965 8.4173 numMergedOcc 0
44 mol 178 unq 3 iso 0 dist 7.17202 6.43573 9.89739 8.81551 5.18005 10.5529 4.43082 6.55543 9.70181 10.2965 numMergedOcc 0
45 mol 178 unq 3 iso 1 dist 7.17202 8.81551 5.18005 6.43573 9.89739 10.5529 4.43082 6.55543 10.2965 9.70181 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 8.87694 14.9058 5.74635 6.61139 9.28036 12.2442 10.3718 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 9.70748 8.87694 14.9058 7.54065 13.8792 5.74635 6.61139 9.28036 10.3718 12.2442 numMergedOcc 0
48 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 6.56535 7.48298 14.2794 15.4631 numMergedOcc 0
49 mol 252 unq 0 iso 1 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 6.56535 7.48298 15.4631 14.2794 numMergedOcc 0
50 mol 252 unq 1 iso 0 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 4.51829 8.9483 10.8005 13.4944 numMergedOcc 0
51 mol 252 unq 1 iso 1 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 4.51829 8.9483 13.4944 10.8005 numMergedOcc 0
