0 mol 12 unq 0 iso 0 dist 8.3933 10.2163 9.52857 12.3569 10.1802 5.76024 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.3933 10.2163 9.52857 10.5206 11.8349 7.92714 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 8.3933 10.2163 9.52857 17.5556 13.1322 8.47217 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.55854 11.3276 8.69945 18.5082 14.3423 8.89417 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 7.55854 11.3276 8.69945 13.2787 8.76259 9.95255 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.85912 15.5857 9.58855 15.811 9.72019 8.42878 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 5.21015 8.30856 8.55826 9.84391 5.78064 8.42878 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.71613 8.60604 8.3971 13.308 10.5909 8.38606 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.85705 11.0305 8.81111 13.9797 11.3783 6.75376 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.85705 4.96213 5.66405 13.9797 11.3783 9.10042 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 6.85705 4.96213 5.66405 13.8576 11.1002 9.75059 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 6.85705 4.96213 5.66405 6.10556 5.63251 6.83404 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 8.95171 13.6106 8.75305 5.42285 5.6621 8.21184 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 8.95171 13.6106 8.75305 9.45647 6.65278 5.41575 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 8.95171 10.3208 5.13522 5.42285 5.6621 5.9976 numMergedOcc 0
15 mol 156 unq 3 iso 0 dist 8.95171 10.3208 5.13522 9.45647 6.65278 6.86566 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.86494 10.1487 5.99212 14.641 6.27876 9.7361 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.82681 9.75326 8.53237 8.76308 4.93748 6.21159 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.17075 7.30886 9.34312 8.31182 14.8724 7.00243 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.68224 13.9087 9.34312 19.3487 14.8724 7.00243 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 8.90911 9.95264 9.35976 7.64361 10.7039 8.20644 numMergedOcc 0
