0 mol 58 unq 0 iso 0 dist 6.46761 7.58407 6.44201 6.79356 4.43437 9.59066 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 7.58407 6.46761 6.44201 6.79356 9.59066 4.43437 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 8.66514 9.25235 4.61166 9.07128 3.99025 6.08504 numMergedOcc 0
3 mol 88 unq 0 iso 1 dist 9.25235 8.66514 4.61166 9.07128 6.08504 3.99025 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 8.66514 9.25235 4.61166 6.65615 6.69123 3.77436 numMergedOcc 0
5 mol 88 unq 1 iso 1 dist 9.25235 8.66514 4.61166 6.65615 3.77436 6.69123 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.59981 7.34519 12.7129 5.39356 6.92548 5.87751 numMergedOcc 0
7 mol 127 unq 0 iso 1 dist 7.34519 8.59981 12.7129 5.39356 5.87751 6.92548 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 8.59981 7.34519 12.7129 9.92746 16.8777 5.08112 numMergedOcc 0
9 mol 127 unq 1 iso 1 dist 7.34519 8.59981 12.7129 9.92746 5.08112 16.8777 numMergedOcc 0
10 mol 127 unq 2 iso 0 dist 7.66331 8.58999 12.7129 5.01504 6.92548 5.87751 numMergedOcc 0
11 mol 127 unq 2 iso 1 dist 8.58999 7.66331 12.7129 5.01504 5.87751 6.92548 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.91348 9.51418 10.2027 8.80895 6.25029 13.4297 numMergedOcc 0
13 mol 131 unq 0 iso 1 dist 9.51418 6.91348 10.2027 8.80895 13.4297 6.25029 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.98142 7.37327 6.46849 8.29467 9.55459 7.66761 numMergedOcc 0
15 mol 181 unq 0 iso 1 dist 7.37327 7.98142 6.46849 8.29467 7.66761 9.55459 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 7.90031 7.21533 5.17341 9.76973 8.56728 6.76174 numMergedOcc 0
17 mol 198 unq 0 iso 1 dist 7.21533 7.90031 5.17341 9.76973 6.76174 8.56728 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 8.82761 14.229 14.9475 numMergedOcc 0
19 mol 213 unq 0 iso 1 dist 9.59129 6.0965 6.04429 8.82761 14.9475 14.229 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 7.18041 7.17547 9.17818 6.1896 4.24855 10.7049 numMergedOcc 0
21 mol 218 unq 0 iso 1 dist 7.17547 7.18041 9.17818 6.1896 10.7049 4.24855 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 7.18041 7.17547 9.17818 6.09255 5.31276 4.36581 numMergedOcc 0
23 mol 218 unq 1 iso 1 dist 7.17547 7.18041 9.17818 6.09255 4.36581 5.31276 numMergedOcc 0
24 mol 228 unq 0 iso 0 dist 9.42615 8.06181 8.57673 9.25785 5.63283 3.65229 numMergedOcc 0
25 mol 228 unq 0 iso 1 dist 8.06181 9.42615 8.57673 9.25785 3.65229 5.63283 numMergedOcc 0
26 mol 228 unq 1 iso 0 dist 7.77367 9.06121 8.22089 9.01231 3.62742 5.34726 numMergedOcc 0
27 mol 228 unq 1 iso 1 dist 9.06121 7.77367 8.22089 9.01231 5.34726 3.62742 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 8.14172 8.09066 10.9258 8.88652 12.0336 3.94343 numMergedOcc 0
29 mol 238 unq 0 iso 1 dist 8.09066 8.14172 10.9258 8.88652 3.94343 12.0336 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 6.77463 7.2766 10.9258 6.46771 12.0336 3.94343 numMergedOcc 0
31 mol 238 unq 1 iso 1 dist 7.2766 6.77463 10.9258 6.46771 3.94343 12.0336 numMergedOcc 0
32 mol 240 unq 0 iso 0 dist 6.15305 8.0951 11.0721 5.77749 6.06674 5.24608 numMergedOcc 0
33 mol 240 unq 0 iso 1 dist 8.0951 6.15305 11.0721 5.77749 5.24608 6.06674 numMergedOcc 0
