0 mol 10 unq 0 iso 0 dist 6.20404 8.97985 4.87139 4.62965 8.93461 12.6941 11.1683 11.0871 13.1156 9.78153 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.6783 9.3808 8.79418 4.69936 6.51139 6.35506 6.74265 10.8697 5.42185 6.75602 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.60396 7.86479 4.89928 11.3388 9.76585 6.57633 10.2091 11.3999 6.53557 7.21995 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.60396 7.86479 4.89928 11.3388 9.76585 6.57633 14.3847 6.95983 7.20713 8.84944 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 8.57785 5.69981 3.82947 16.0564 8.95571 12.0896 18.0281 11.806 13.1037 9.24055 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 8.57785 5.69981 3.82947 16.0564 8.95571 12.0896 20.4572 12.3757 14.8941 9.66898 numMergedOcc 0
6 mol 55 unq 2 iso 0 dist 7.03751 9.873 3.82947 4.42326 8.95571 12.0896 12.0412 11.806 13.1037 9.24055 numMergedOcc 0
7 mol 55 unq 3 iso 0 dist 7.03751 9.873 3.82947 4.42326 8.95571 12.0896 13.1181 12.3757 14.8941 9.66898 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 7.17678 9.18161 4.69809 8.98413 7.30652 10.5659 15.1612 10.3741 13.2884 7.03224 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.04935 8.52697 10.0025 4.82573 5.55798 8.26763 7.78105 7.95422 7.19348 8.61089 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.04935 8.52697 10.0025 4.82573 5.55798 8.26763 13.2324 6.05149 11.5374 8.64686 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 9.04935 9.66612 10.8249 4.82573 5.55798 10.3134 7.78105 7.95422 5.25684 8.61089 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 9.04935 9.66612 10.8249 4.82573 5.55798 10.3134 13.2324 6.05149 13.4557 8.64686 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.21127 6.17349 5.33827 5.73904 5.73946 7.84768 10.879 4.75292 5.84634 9.33293 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 8.21127 9.21978 12.6105 5.73904 5.73946 12.5457 10.879 4.75292 15.931 9.33293 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 7.33743 3.84992 6.14253 9.56319 10.3522 13.8059 14.3149 13.5483 8.8353 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.7232 7.33743 11.5628 6.14253 9.73038 10.3522 13.8059 17.9749 13.5483 8.8353 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 7.24533 9.79864 3.98113 8.61205 8.01777 11.2355 15.362 12.4724 14.7422 6.9103 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 6.13722 7.81168 12.9641 4.19938 7.3055 10.9977 7.07099 6.1113 12.6355 6.57444 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 6.13722 7.81168 12.9641 4.19938 7.3055 10.9977 8.3978 14.487 5.85295 9.39714 numMergedOcc 0
