0 mol 7 unq 0 iso 0 dist 9.28571 15.7038 8.05125 9.62459 8.50044 9.89662 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.05125 15.7038 9.28571 9.89662 8.50044 9.62459 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.28571 15.7038 8.05125 15.3822 7.11539 10.7937 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 8.05125 15.7038 9.28571 10.7937 7.11539 15.3822 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.13608 13.7123 9.46895 8.69625 8.07997 6.44044 numMergedOcc 0
5 mol 32 unq 0 iso 1 dist 9.46895 13.7123 7.13608 6.44044 8.07997 8.69625 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.45684 5.8441 7.76644 6.11938 5.94373 4.43442 numMergedOcc 0
7 mol 64 unq 0 iso 1 dist 7.76644 5.8441 5.45684 4.43442 5.94373 6.11938 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.62952 5.4823 4.3521 4.81103 8.60103 7.22196 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 4.3521 5.4823 6.62952 7.22196 8.60103 4.81103 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.75402 10.6764 8.48363 11.1934 8.35871 6.46489 numMergedOcc 0
11 mol 125 unq 0 iso 1 dist 8.48363 10.6764 8.75402 6.46489 8.35871 11.1934 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 8.75402 10.6764 8.48363 7.74181 6.75122 8.27647 numMergedOcc 0
13 mol 125 unq 1 iso 1 dist 8.48363 10.6764 8.75402 8.27647 6.75122 7.74181 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 5.50879 11.1396 6.69157 5.309 8.75305 11.9245 numMergedOcc 0
15 mol 156 unq 0 iso 1 dist 6.69157 11.1396 5.50879 11.9245 8.75305 5.309 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 5.50879 11.1396 6.69157 6.07262 5.13522 6.25291 numMergedOcc 0
17 mol 156 unq 1 iso 1 dist 6.69157 11.1396 5.50879 6.25291 5.13522 6.07262 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.68937 10.1679 6.3981 10.8108 9.00731 7.67095 numMergedOcc 0
19 mol 162 unq 0 iso 1 dist 6.3981 10.1679 9.68937 7.67095 9.00731 10.8108 numMergedOcc 0
20 mol 162 unq 1 iso 0 dist 9.68937 10.1679 6.3981 12.5317 5.99212 8.33986 numMergedOcc 0
21 mol 162 unq 1 iso 1 dist 6.3981 10.1679 9.68937 8.33986 5.99212 12.5317 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 8.32987 10.6362 8.44321 9.51289 8.14167 9.16343 numMergedOcc 0
23 mol 173 unq 0 iso 1 dist 8.44321 10.6362 8.32987 9.16343 8.14167 9.51289 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 7.71716 13.1729 8.71993 5.35985 9.16058 12.9817 numMergedOcc 0
25 mol 193 unq 0 iso 1 dist 8.71993 13.1729 7.71716 12.9817 9.16058 5.35985 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.02053 4.4482 7.41663 5.10109 9.37516 9.30128 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 7.41663 4.4482 6.02053 9.30128 9.37516 5.10109 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 8.12326 5.1282 7.37014 5.78532 8.64079 4.84945 numMergedOcc 0
29 mol 209 unq 0 iso 1 dist 7.37014 5.1282 8.12326 4.84945 8.64079 5.78532 numMergedOcc 0
30 mol 209 unq 1 iso 0 dist 8.12326 9.5473 8.20431 5.78532 8.64079 5.54278 numMergedOcc 0
31 mol 209 unq 1 iso 1 dist 8.20431 9.5473 8.12326 5.54278 8.64079 5.78532 numMergedOcc 0
32 mol 209 unq 1 iso 0 dist 7.37014 5.35106 8.20431 4.84945 8.64079 5.54278 numMergedOcc 0
33 mol 209 unq 1 iso 1 dist 8.20431 5.35106 7.37014 5.54278 8.64079 4.84945 numMergedOcc 0
34 mol 209 unq 2 iso 0 dist 8.8886 6.11542 8.78565 5.54278 8.76128 9.814 numMergedOcc 0
35 mol 209 unq 2 iso 1 dist 8.78565 6.11542 8.8886 9.814 8.76128 5.54278 numMergedOcc 0
36 mol 210 unq 0 iso 0 dist 8.50367 8.21472 8.94889 6.99516 9.24401 14.1634 numMergedOcc 0
37 mol 210 unq 0 iso 1 dist 8.94889 8.21472 8.50367 14.1634 9.24401 6.99516 numMergedOcc 0
38 mol 226 unq 0 iso 0 dist 8.24741 8.0668 5.07958 4.97624 6.45143 5.55393 numMergedOcc 0
39 mol 226 unq 0 iso 1 dist 5.07958 8.0668 8.24741 5.55393 6.45143 4.97624 numMergedOcc 0
40 mol 226 unq 1 iso 0 dist 8.24741 12.401 6.19519 4.97624 6.45143 9.35407 numMergedOcc 0
41 mol 226 unq 1 iso 1 dist 6.19519 12.401 8.24741 9.35407 6.45143 4.97624 numMergedOcc 0
42 mol 226 unq 1 iso 0 dist 5.07958 9.9701 6.19519 5.55393 6.45143 9.35407 numMergedOcc 0
43 mol 226 unq 1 iso 1 dist 6.19519 9.9701 5.07958 9.35407 6.45143 5.55393 numMergedOcc 0
44 mol 273 unq 0 iso 0 dist 7.84151 6.91672 7.346 5.63899 9.16554 11.3048 numMergedOcc 0
45 mol 273 unq 0 iso 1 dist 7.346 6.91672 7.84151 11.3048 9.16554 5.63899 numMergedOcc 0
46 mol 273 unq 1 iso 0 dist 7.84151 6.91672 7.346 7.46111 8.83491 5.60451 numMergedOcc 0
47 mol 273 unq 1 iso 1 dist 7.346 6.91672 7.84151 5.60451 8.83491 7.46111 numMergedOcc 0
48 mol 281 unq 0 iso 0 dist 6.47753 4.37277 9.69744 10.2741 7.85707 13.7939 numMergedOcc 0
49 mol 281 unq 0 iso 1 dist 9.69744 4.37277 6.47753 13.7939 7.85707 10.2741 numMergedOcc 0
