0 mol 26 unq 0 iso 0 dist 6.99742 16.0919 9.41425 11.4325 8.58071 9.5053 16.6242 11.4138 5.66783 6.56527 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.02387 7.55075 6.84514 10.0196 3.50984 7.59316 4.70231 5.7836 4.16161 8.29857 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.92898 7.55075 8.95402 10.0196 12.69 7.59316 4.70231 5.89173 4.16161 8.29857 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 4.74786 10.2706 6.84514 7.34031 3.50984 7.59316 8.13678 5.7836 4.16161 8.29857 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 4.53565 10.3548 7.05619 7.281 3.65036 7.51285 8.24402 5.82264 4.20245 8.19993 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.61909 13.0539 6.4569 6.13559 3.67473 7.42482 11.1434 10.9536 8.66057 8.42878 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 5.96977 7.27945 6.4569 9.52562 3.67473 7.42482 15.0649 10.9536 8.66057 8.42878 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.50336 11.1956 8.88454 4.25566 3.80087 9.78667 7.64948 9.59109 8.69924 9.83945 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.50336 11.1956 8.88454 7.31037 3.80763 6.73983 7.64948 9.59109 8.69924 6.75376 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 6.50336 11.1956 8.88454 13.4855 9.98068 7.64956 7.64948 9.59109 8.69924 9.10042 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 6.50336 11.1956 8.88454 13.4855 9.98068 7.64956 12.1096 13.5458 9.41497 9.75059 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 6.50336 11.1956 8.88454 13.4855 9.98068 7.64956 18.7335 15.8537 9.53115 6.83404 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 6.50336 9.65952 9.48581 4.25566 3.80087 8.47026 7.64948 9.59109 9.33878 9.83945 numMergedOcc 0
13 mol 141 unq 6 iso 0 dist 6.50336 9.65952 9.48581 7.31037 3.80763 8.6387 7.64948 9.59109 9.33878 6.75376 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.22067 5.33988 5.22104 6.05323 5.64188 7.46845 11.9671 9.63874 12.4049 8.21184 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 8.22067 5.33988 5.22104 6.05323 5.64188 7.46845 8.69711 10.5534 11.7015 5.9976 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 8.90564 4.24398 5.22104 9.67663 5.64188 7.46845 15.8924 9.63874 12.4049 8.21184 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 8.90564 4.24398 5.22104 9.67663 5.64188 7.46845 13.7939 10.5534 11.7015 5.9976 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.24036 8.70275 8.46395 9.49226 5.39534 5.45675 4.47395 5.25762 5.81211 6.21159 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 6.17074 5.08201 7.06636 10.3878 6.18551 9.41624 10.8409 11.7052 7.58433 9.40801 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 8.33629 9.38038 8.96803 11.5576 12.5736 5.06628 15.0569 12.0818 5.90415 8.10254 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.8385 7.45924 4.64695 14.0908 7.28821 7.99521 8.60199 9.24869 5.52447 9.32954 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.13595 10.4882 8.78893 13.3793 12.1127 7.85414 5.7252 6.23115 5.43373 8.20644 numMergedOcc 0
