0 mol 19 unq 0 iso 0 dist 7.40236 8.18566 8.43581 8.19695 3.73148 7.46208 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.99742 16.0919 9.41425 11.4325 8.58071 9.5053 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.05327 7.52842 6.29842 9.33027 6.35031 6.15801 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.05327 7.52842 6.29842 7.32707 5.50427 9.63403 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 7.05327 7.52842 6.29842 11.0429 5.12822 8.07314 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 9.29284 6.51847 6.29842 8.2946 6.35031 6.15801 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 9.29284 6.51847 6.29842 9.25346 5.50427 9.63403 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 9.29284 6.51847 6.29842 13.1502 5.12822 8.07314 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.02387 7.55075 6.84514 10.0196 3.50984 7.59316 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 8.92898 7.55075 8.95402 10.0196 12.69 7.59316 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 4.74786 10.2706 6.84514 7.34031 3.50984 7.59316 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 4.53565 10.3548 7.05619 7.281 3.65036 7.51285 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.61909 13.0539 6.4569 6.13559 3.67473 7.42482 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 5.96977 7.27945 6.4569 9.52562 3.67473 7.42482 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.50336 11.1956 8.88454 4.25566 3.80087 9.78667 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 6.50336 11.1956 8.88454 7.31037 3.80763 6.73983 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 6.50336 11.1956 8.88454 13.4855 9.98068 7.64956 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 6.50336 9.65952 9.48581 4.25566 3.80087 8.47026 numMergedOcc 0
18 mol 141 unq 4 iso 0 dist 6.50336 9.65952 9.48581 7.31037 3.80763 8.6387 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.08798 7.12863 5.66207 9.30424 4.5497 6.95372 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.70169 6.73177 5.42715 11.4982 5.83776 5.06613 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 8.22067 5.33988 5.22104 6.05323 5.64188 7.46845 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 8.90564 4.24398 5.22104 9.67663 5.64188 7.46845 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 6.24036 8.70275 8.46395 9.49226 5.39534 5.45675 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 6.17074 5.08201 7.06636 10.3878 6.18551 9.41624 numMergedOcc 0
25 mol 209 unq 0 iso 0 dist 8.62439 9.02883 9.90699 12.3767 11.5669 7.97418 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 9.39609 5.84583 6.45381 12.6911 3.90135 8.3087 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 5.69634 9.66782 6.58003 9.28101 3.64991 6.00582 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 7.91374 7.61587 6.58003 10.5308 3.64991 6.00582 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 7.35086 6.56378 6.58003 9.25517 3.64991 6.00582 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 6.81195 5.3976 6.58003 7.22019 3.64991 6.00582 numMergedOcc 0
31 mol 237 unq 0 iso 0 dist 8.33629 9.38038 8.96803 5.98039 4.50383 6.07878 numMergedOcc 0
32 mol 237 unq 1 iso 0 dist 8.33629 9.38038 8.96803 9.48932 9.41259 7.80422 numMergedOcc 0
33 mol 237 unq 2 iso 0 dist 8.33629 9.38038 8.96803 11.5576 12.5736 5.06628 numMergedOcc 0
34 mol 260 unq 0 iso 0 dist 8.8385 7.45924 4.64695 14.0908 7.28821 7.99521 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 8.13595 10.4882 8.78893 13.3793 12.1127 7.85414 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 8.13595 10.7448 4.61089 18.7336 11.6159 8.81717 numMergedOcc 0
