0 mol 7 unq 0 iso 0 dist 7.31201 9.36807 6.57017 8.70159 8.50789 7.58143 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 7.31201 6.57017 8.70159 7.58143 8.50789 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.78293 8.23643 12.7954 7.97324 6.37382 7.24362 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.23643 8.78293 12.7954 7.97324 7.24362 6.37382 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.78293 7.82528 14.7664 7.97324 6.37382 13.3417 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 7.82528 8.78293 14.7664 7.97324 13.3417 6.37382 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.23643 7.82528 11.0033 7.97324 7.24362 13.3417 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 7.82528 8.23643 11.0033 7.97324 13.3417 7.24362 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 7.51358 8.93296 8.12939 8.01624 5.76517 12.1952 numMergedOcc 0
9 mol 87 unq 0 iso 1 dist 8.93296 7.51358 8.12939 8.01624 12.1952 5.76517 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 8.66514 9.25235 4.61166 6.066 7.39092 8.30564 numMergedOcc 0
11 mol 88 unq 0 iso 1 dist 9.25235 8.66514 4.61166 6.066 8.30564 7.39092 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 8.59981 7.34519 12.7129 5.72373 4.98036 8.57565 numMergedOcc 0
13 mol 127 unq 0 iso 1 dist 7.34519 8.59981 12.7129 5.72373 8.57565 4.98036 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 7.66331 8.58999 12.7129 7.20988 4.98036 8.57565 numMergedOcc 0
15 mol 127 unq 1 iso 1 dist 8.58999 7.66331 12.7129 7.20988 8.57565 4.98036 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.98142 7.37327 6.46849 8.47008 5.3049 10.8044 numMergedOcc 0
17 mol 181 unq 0 iso 1 dist 7.37327 7.98142 6.46849 8.47008 10.8044 5.3049 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.99696 7.85058 14.5931 8.02386 5.93544 10.8955 numMergedOcc 0
19 mol 197 unq 0 iso 1 dist 7.85058 8.99696 14.5931 8.02386 10.8955 5.93544 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 8.99696 7.85058 14.5931 6.6259 9.85132 10.636 numMergedOcc 0
21 mol 197 unq 1 iso 1 dist 7.85058 8.99696 14.5931 6.6259 10.636 9.85132 numMergedOcc 0
22 mol 197 unq 2 iso 0 dist 8.99696 9.96638 8.44549 8.02386 5.93544 5.28951 numMergedOcc 0
23 mol 197 unq 2 iso 1 dist 9.96638 8.99696 8.44549 8.02386 5.28951 5.93544 numMergedOcc 0
24 mol 197 unq 3 iso 0 dist 8.99696 9.96638 8.44549 6.6259 9.85132 10.698 numMergedOcc 0
25 mol 197 unq 3 iso 1 dist 9.96638 8.99696 8.44549 6.6259 10.698 9.85132 numMergedOcc 0
26 mol 197 unq 2 iso 0 dist 7.85058 9.96638 10.0338 8.02386 10.8955 5.28951 numMergedOcc 0
27 mol 197 unq 2 iso 1 dist 9.96638 7.85058 10.0338 8.02386 5.28951 10.8955 numMergedOcc 0
28 mol 197 unq 3 iso 0 dist 7.85058 9.96638 10.0338 6.6259 10.636 10.698 numMergedOcc 0
29 mol 197 unq 3 iso 1 dist 9.96638 7.85058 10.0338 6.6259 10.698 10.636 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 8.29133 10.4683 8.3461 numMergedOcc 0
31 mol 213 unq 0 iso 1 dist 9.59129 6.0965 6.04429 8.29133 8.3461 10.4683 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 9.5707 7.85175 5.32617 6.35438 10.0213 6.81789 numMergedOcc 0
33 mol 234 unq 0 iso 1 dist 7.85175 9.5707 5.32617 6.35438 6.81789 10.0213 numMergedOcc 0
34 mol 240 unq 0 iso 0 dist 6.15305 8.0951 11.0721 7.55134 7.23992 7.3073 numMergedOcc 0
35 mol 240 unq 0 iso 1 dist 8.0951 6.15305 11.0721 7.55134 7.3073 7.23992 numMergedOcc 0
