0 mol 4 unq 0 iso 0 dist 9.80438 13.5907 6.3317 14.6895 8.93278 4.56495 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.80438 13.5907 6.3317 3.25279 8.68164 11.1723 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.07476 10.5382 9.74528 5.23547 9.89425 11.3059 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 8.76224 8.34712 7.7871 7.77448 9.2146 11.0435 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.54314 4.44905 6.89855 7.78684 8.78414 5.74753 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 9.54314 6.25029 7.85738 7.78684 8.78414 5.82517 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.56859 14.8167 7.17133 11.7024 9.08745 15.9536 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 5.75135 12.8471 7.17133 4.69809 9.08745 15.9536 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.46582 4.00834 5.91098 11.3491 9.57759 13.363 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 6.46582 9.6911 4.86523 11.3491 9.57759 7.37421 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.73466 6.26966 6.11101 3.44873 9.38837 7.35151 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 6.73466 6.26966 6.11101 10.3854 9.80913 4.76634 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.06029 6.05149 6.65972 10.0025 9.04293 11.5374 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 7.06029 6.05149 6.65972 6.35003 4.78333 5.21981 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 9.94528 9.39588 7.69755 6.51558 5.35861 4.93836 numMergedOcc 0
15 mol 83 unq 1 iso 0 dist 9.94528 14.6472 9.64197 6.51558 5.35861 8.82563 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 8.94777 12.0034 7.69755 9.07479 5.35861 4.93836 numMergedOcc 0
17 mol 83 unq 3 iso 0 dist 8.94777 16.6651 9.64197 9.07479 5.35861 8.82563 numMergedOcc 0
18 mol 83 unq 4 iso 0 dist 9.47551 5.68174 7.69755 5.46512 5.35861 4.93836 numMergedOcc 0
19 mol 83 unq 5 iso 0 dist 9.47551 6.90476 9.64197 5.46512 5.35861 8.82563 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 5.10693 8.97237 8.55758 3.91263 6.67678 5.84807 numMergedOcc 0
21 mol 93 unq 1 iso 0 dist 6.58814 8.97237 7.44027 3.91263 7.24956 5.84807 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 7.74924 10.0189 9.02905 3.60451 4.3439 8.32734 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 7.74924 10.0189 9.02905 8.25253 6.05855 4.79063 numMergedOcc 0
24 mol 176 unq 0 iso 0 dist 9.09554 12.5252 8.8756 3.94408 9.9109 11.9346 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.14525 9.9552 4.79423 5.22626 8.92135 9.5548 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 8.93485 11.2438 8.83628 6.10058 7.68686 6.31671 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 5.66636 7.47443 8.83628 3.50446 7.68686 6.31671 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 7.89302 10.4935 9.84028 5.06168 5.6417 8.2786 numMergedOcc 0
29 mol 254 unq 1 iso 0 dist 7.89302 10.4935 9.84028 6.25965 7.42831 5.20737 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 9.46576 13.9264 6.90472 17.1277 9.73217 4.35925 numMergedOcc 0
31 mol 260 unq 1 iso 0 dist 9.46576 13.9264 6.90472 6.73886 7.49606 13.8859 numMergedOcc 0
32 mol 260 unq 2 iso 0 dist 9.46576 13.9264 6.90472 11.1586 8.06377 13.5662 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.35293 6.3565 6.48382 10.858 8.20376 7.90149 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 7.93375 5.54798 6.48382 7.54309 8.20376 7.90149 numMergedOcc 0
