0 mol 10 unq 0 iso 0 dist 9.38676 9.81159 9.23414 6.39217 9.33141 13.2906 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.85585 11.682 9.07476 10.5497 6.84216 5.8961 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.92563 11.4541 9.04534 10.077 6.58046 5.71129 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 8.08601 6.7061 5.70754 7.54295 8.4014 5.69927 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 8.84468 8.38946 9.40699 12.7267 7.74064 12.0948 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.72242 13.1071 7.08403 10.3652 7.02367 14.0364 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 8.11243 10.8635 8.76449 4.9037 6.73617 6.91778 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 6.99201 9.38036 9.14525 9.17649 5.90765 4.94882 numMergedOcc 0
8 mol 210 unq 0 iso 0 dist 8.90428 8.87587 9.25184 5.42209 6.85824 3.84723 numMergedOcc 0
9 mol 222 unq 0 iso 0 dist 8.55981 7.03763 4.90656 6.69189 5.1609 4.82768 numMergedOcc 0
10 mol 232 unq 0 iso 0 dist 8.82242 6.26153 8.54126 5.88028 8.60731 5.70808 numMergedOcc 0
11 mol 232 unq 1 iso 0 dist 8.82242 8.73691 7.64079 5.88028 8.60731 4.86949 numMergedOcc 0
12 mol 253 unq 0 iso 0 dist 8.15394 4.92131 8.71119 12.0322 9.19385 11.8779 numMergedOcc 0
13 mol 253 unq 1 iso 0 dist 8.15394 4.92131 8.71119 13.1011 9.1927 15.4152 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 5.98618 4.50567 5.8898 8.07916 5.7944 5.75478 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 8.62436 5.76562 8.25703 14.1498 8.12739 10.6892 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 5.99705 13.6326 8.72101 15.1837 9.54359 4.88964 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 5.99705 13.6326 8.72101 10.4422 5.69112 6.76786 numMergedOcc 0
18 mol 277 unq 2 iso 0 dist 5.99705 4.82882 5.11998 15.1837 9.54359 14.2115 numMergedOcc 0
19 mol 277 unq 3 iso 0 dist 5.99705 4.82882 5.11998 10.4422 5.69112 10.8075 numMergedOcc 0
20 mol 277 unq 4 iso 0 dist 5.04543 13.6326 8.75619 10.4422 7.2091 6.76786 numMergedOcc 0
21 mol 277 unq 5 iso 0 dist 5.04543 4.82882 5.79925 10.4422 7.2091 10.8075 numMergedOcc 0
22 mol 277 unq 6 iso 0 dist 5.04543 7.5495 8.55906 10.4422 7.2091 12.9535 numMergedOcc 0
23 mol 277 unq 7 iso 0 dist 5.04543 9.16695 5.55523 10.4422 7.2091 11.2385 numMergedOcc 0
24 mol 277 unq 8 iso 0 dist 8.99501 17.0068 8.75619 15.3907 7.2091 6.76786 numMergedOcc 0
25 mol 277 unq 9 iso 0 dist 8.99501 10.4709 5.79925 15.3907 7.2091 10.8075 numMergedOcc 0
26 mol 277 unq 10 iso 0 dist 8.99501 5.08958 8.55906 15.3907 7.2091 12.9535 numMergedOcc 0
27 mol 277 unq 11 iso 0 dist 8.99501 9.02911 5.55523 15.3907 7.2091 11.2385 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 7.55248 13.9262 6.82918 10.9431 5.50053 7.74992 numMergedOcc 0
29 mol 281 unq 1 iso 0 dist 6.50041 9.83564 6.82918 10.9211 5.50053 7.74992 numMergedOcc 0
30 mol 281 unq 2 iso 0 dist 5.70591 8.53439 9.13909 10.9211 7.33334 13.6632 numMergedOcc 0
31 mol 281 unq 3 iso 0 dist 5.70591 9.83564 4.29351 10.9211 7.33334 7.74992 numMergedOcc 0
