0 mol 12 unq 0 iso 0 dist 8.3933 8.00085 5.25583 6.16894 6.6051 5.77108 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.3933 8.00085 5.25583 5.93993 8.15864 8.27891 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.16143 6.1601 9.35574 5.47143 8.68012 4.8335 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.53522 11.2838 9.50049 4.8523 5.52834 8.14608 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 7.44693 10.1447 9.43192 4.93428 7.15248 9.5944 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 7.44693 10.1447 9.43192 9.09433 8.43162 6.26086 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.17621 5.07153 5.56645 7.68493 8.53914 9.91621 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.71613 4.86088 5.58346 8.12626 6.53824 8.38134 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 8.71613 5.28258 6.24768 8.12626 6.53824 5.88698 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 6.31955 8.25225 8.45451 4.04981 7.18976 12.0208 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 9.20602 5.31188 6.97303 10.7142 6.8976 6.72897 numMergedOcc 0
11 mol 157 unq 1 iso 0 dist 9.20602 5.2212 9.37761 10.7142 6.8976 7.17345 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.57243 8.68818 6.33118 11.0811 9.96635 8.85571 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 7.76744 6.44305 9.65489 5.38715 8.51153 7.26405 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 9.9897 8.49316 8.76212 6.33039 9.79293 4.91835 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 7.197 4.7018 8.57691 8.6372 8.4208 7.3667 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 9.8751 9.72656 8.65743 10.5649 9.62494 5.36882 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 7.03218 5.99944 8.54653 5.90566 8.83076 7.48605 numMergedOcc 0
18 mol 280 unq 1 iso 0 dist 7.03218 5.99944 8.54653 6.86456 9.76967 6.25509 numMergedOcc 0
19 mol 280 unq 2 iso 0 dist 7.03218 4.46069 8.71581 5.90566 8.83076 9.78493 numMergedOcc 0
20 mol 280 unq 3 iso 0 dist 7.03218 4.46069 8.71581 6.86456 9.76967 7.74111 numMergedOcc 0
21 mol 280 unq 4 iso 0 dist 7.03218 8.05755 9.79817 5.90566 8.83076 9.73214 numMergedOcc 0
22 mol 280 unq 5 iso 0 dist 7.03218 8.05755 9.79817 6.86456 9.76967 13.8226 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 5.84757 7.49694 7.90993 4.93146 6.58925 11.8486 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 5.0007 5.25454 7.90993 8.1531 6.58925 11.8486 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 9.00901 10.0259 5.25409 11.231 6.37998 4.06072 numMergedOcc 0
26 mol 294 unq 1 iso 0 dist 9.00901 10.0259 5.25409 14.1974 9.77023 5.29391 numMergedOcc 0
27 mol 294 unq 2 iso 0 dist 8.46132 9.83196 5.25409 6.66087 6.37998 4.06072 numMergedOcc 0
28 mol 294 unq 3 iso 0 dist 8.46132 9.83196 5.25409 13.8417 9.77023 5.29391 numMergedOcc 0
