0 mol 20 unq 0 iso 0 dist 7.68085 10.7036 8.65986 10.0419 9.39462 3.39356 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 7.68085 10.0419 9.39462 10.7036 8.65986 3.39356 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 8.45034 10.7036 9.74724 10.0419 9.13347 3.39356 numMergedOcc 0
3 mol 20 unq 1 iso 1 dist 8.45034 10.0419 9.13347 10.7036 9.74724 3.39356 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 9.76721 7.96851 9.52155 8.62174 9.16319 5.0308 numMergedOcc 0
5 mol 27 unq 0 iso 1 dist 9.76721 8.62174 9.16319 7.96851 9.52155 5.0308 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.27456 15.5854 9.43843 7.41484 7.67463 16.5258 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 9.27456 7.41484 7.67463 15.5854 9.43843 16.5258 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.43487 3.74516 8.46167 7.32784 6.13175 5.7147 numMergedOcc 0
9 mol 113 unq 0 iso 1 dist 9.43487 7.32784 6.13175 3.74516 8.46167 5.7147 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.43487 3.74516 8.46167 8.46561 4.34107 8.09465 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 9.43487 8.46561 4.34107 3.74516 8.46167 8.09465 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 9.43487 7.32784 6.13175 8.46561 4.34107 3.74304 numMergedOcc 0
13 mol 113 unq 1 iso 1 dist 9.43487 8.46561 4.34107 7.32784 6.13175 3.74304 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 9.97052 11.4966 8.46167 11.9142 6.13175 5.7147 numMergedOcc 0
15 mol 113 unq 2 iso 1 dist 9.97052 11.9142 6.13175 11.4966 8.46167 5.7147 numMergedOcc 0
16 mol 113 unq 3 iso 0 dist 9.97052 11.4966 8.46167 9.75283 4.34107 8.09465 numMergedOcc 0
17 mol 113 unq 3 iso 1 dist 9.97052 9.75283 4.34107 11.4966 8.46167 8.09465 numMergedOcc 0
18 mol 113 unq 3 iso 0 dist 9.97052 11.9142 6.13175 9.75283 4.34107 3.74304 numMergedOcc 0
19 mol 113 unq 3 iso 1 dist 9.97052 9.75283 4.34107 11.9142 6.13175 3.74304 numMergedOcc 0
20 mol 113 unq 4 iso 0 dist 7.3324 13.8072 8.46167 8.67805 6.13175 5.7147 numMergedOcc 0
21 mol 113 unq 4 iso 1 dist 7.3324 8.67805 6.13175 13.8072 8.46167 5.7147 numMergedOcc 0
22 mol 113 unq 5 iso 0 dist 7.3324 13.8072 8.46167 6.03962 4.34107 8.09465 numMergedOcc 0
23 mol 113 unq 5 iso 1 dist 7.3324 6.03962 4.34107 13.8072 8.46167 8.09465 numMergedOcc 0
24 mol 113 unq 5 iso 0 dist 7.3324 8.67805 6.13175 6.03962 4.34107 3.74304 numMergedOcc 0
25 mol 113 unq 5 iso 1 dist 7.3324 6.03962 4.34107 8.67805 6.13175 3.74304 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 6.18881 7.06015 4.70342 6 8.23543 10.7858 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 6.18881 6 8.23543 7.06015 4.70342 10.7858 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 9.35927 4.87504 4.70342 15.394 8.23543 10.7858 numMergedOcc 0
29 mol 141 unq 1 iso 1 dist 9.35927 15.394 8.23543 4.87504 4.70342 10.7858 numMergedOcc 0
30 mol 154 unq 0 iso 0 dist 9.19804 6.10428 9.82522 3.93314 8.50773 8.14944 numMergedOcc 0
31 mol 154 unq 0 iso 1 dist 9.19804 3.93314 8.50773 6.10428 9.82522 8.14944 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 9.67328 9.74857 9.66947 5.83113 5.69652 10.1158 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 9.67328 5.83113 5.69652 9.74857 9.66947 10.1158 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 8.83523 7.28178 8.07881 5.81468 5.44351 3.31939 numMergedOcc 0
35 mol 254 unq 0 iso 1 dist 8.83523 5.81468 5.44351 7.28178 8.07881 3.31939 numMergedOcc 0
36 mol 254 unq 1 iso 0 dist 8.83523 7.28178 8.07881 8.51317 6.34051 4.69077 numMergedOcc 0
37 mol 254 unq 1 iso 1 dist 8.83523 8.51317 6.34051 7.28178 8.07881 4.69077 numMergedOcc 0
38 mol 254 unq 1 iso 0 dist 8.83523 5.81468 5.44351 8.51317 6.34051 3.15539 numMergedOcc 0
39 mol 254 unq 1 iso 1 dist 8.83523 8.51317 6.34051 5.81468 5.44351 3.15539 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 7.01175 12.5701 8.53393 12.5076 7.24165 3.00605 numMergedOcc 0
41 mol 266 unq 0 iso 1 dist 7.01175 12.5076 7.24165 12.5701 8.53393 3.00605 numMergedOcc 0
42 mol 266 unq 1 iso 0 dist 7.50074 15.7607 8.53393 14.5235 7.24165 3.00605 numMergedOcc 0
43 mol 266 unq 1 iso 1 dist 7.50074 14.5235 7.24165 15.7607 8.53393 3.00605 numMergedOcc 0
44 mol 283 unq 0 iso 0 dist 7.81415 15.5185 9.74797 6.35533 9.90494 13.4236 numMergedOcc 0
45 mol 283 unq 0 iso 1 dist 7.81415 6.35533 9.90494 15.5185 9.74797 13.4236 numMergedOcc 0
