0 mol 0 unq 0 iso 0 dist 7.30381 6.58151 6.64713 8.2542 9.00092 6.90471 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 9.57675 6.67016 7.98679 14.2026 7.53416 12.9956 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 8.84159 14.442 7.98679 3.50601 7.53416 12.9956 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.88172 9.94237 6.62229 5.02512 7.58739 6.0309 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.88172 9.94237 6.62229 5.42468 9.01564 11.5843 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.88172 9.94237 6.62229 8.24108 7.11065 7.05093 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 9.34193 11.7103 4.65127 7.32774 6.63448 5.71764 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 6.34966 6.48823 8.91427 4.58473 7.98985 8.69385 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.91141 4.73318 6.48232 9.26069 8.96616 10.9746 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.91141 4.73318 6.48232 6.25278 6.14542 7.8972 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 5.79841 13.3069 8.70863 7.43838 5.05893 12.7386 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 5.79841 13.3069 8.70863 6.41855 5.71866 14.1999 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.69961 4.26804 9.77017 11.4567 8.72725 8.59786 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.69961 4.26804 9.77017 11.4288 6.11407 9.00531 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 5.58734 6.40944 7.12072 6.14609 6.18678 5.23023 numMergedOcc 0
15 mol 135 unq 0 iso 0 dist 9.03598 10.7535 7.62606 8.91766 7.17599 11.321 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 7.35385 12.6656 6.73983 7.04886 9.27009 14.228 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 7.35385 14.7644 8.6387 7.04886 9.27009 14.0232 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 8.35864 12.6656 7.64956 14.9912 6.65731 8.48213 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 6.69623 7.03009 9.14486 4.25315 8.24419 5.38668 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 6.21951 7.29508 9.14486 4.89614 8.24419 5.38668 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 6.23146 8.14788 8.28466 11.433 6.59036 10.0046 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 7.40057 13.0191 8.89892 11.2926 6.85663 7.20313 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 8.30714 12.5565 7.79704 12.0951 7.77765 14.6057 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 8.30714 12.5565 7.79704 16.7767 9.65868 6.522 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 8.30714 16.5768 9.39276 12.0951 7.77765 15.1159 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 8.30714 16.5768 9.39276 16.7767 9.65868 7.44746 numMergedOcc 0
27 mol 274 unq 4 iso 0 dist 9.02661 16.9837 8.2997 4.89003 8.60027 14.9951 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 5.92532 8.7465 7.85414 13.3706 9.26157 14.6871 numMergedOcc 0
