0 mol 11 unq 0 iso 0 dist 4.61088 6.84216 9.68636 8.68293 7.28643 14.8738 4.10106 6.54358 9.89425 9.32171 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.34347 7.98005 12.5438 8.31381 8.39015 6.92384 7.11305 14.8317 8.97754 13.5629 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 7.99312 6.40219 6.69486 9.17982 4.11117 4.89793 7.18662 8.76849 5.47447 8.90309 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 7.99312 6.40219 6.69486 9.62869 4.77073 10.876 7.18662 8.76849 5.47447 12.5127 numMergedOcc 0
4 mol 41 unq 2 iso 0 dist 8.2183 6.40219 7.02983 9.17982 4.81484 4.89793 7.18662 11.4753 5.47447 8.90309 numMergedOcc 0
5 mol 41 unq 3 iso 0 dist 8.2183 6.40219 7.02983 9.62869 7.03449 10.876 7.18662 11.4753 5.47447 12.5127 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.32874 8.34191 8.44881 6.39747 4.25144 5.96988 6.18181 12.8092 9.86895 10.1689 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 5.86073 9.59585 13.0914 9.7073 12.5818 9.78508 5.70579 8.80934 4.30875 8.65807 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 5.86073 9.7073 12.5818 9.59585 13.0914 9.78508 5.70579 8.80934 8.65807 4.30875 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 6.90986 6.19918 8.66957 5.93278 6.34182 3.19822 4.03602 9.55059 9.45013 9.81886 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.39945 6.19918 6.61688 5.93278 3.98154 3.19822 4.03602 9.24977 9.45013 9.81886 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 6.44653 8.38358 3.35803 7.53694 5.61274 5.26524 7.64591 9.85307 9.98772 12.1141 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 5.87555 6.79114 4.68615 7.59457 4.73288 6.01609 4.94983 6.70693 8.60651 10.6225 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.87437 6.79114 9.35878 7.59457 4.70284 6.01609 4.94983 10.4895 8.60651 10.6225 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 8.49164 9.37946 17.056 9.13646 13.8168 9.48187 5.7891 13.0153 4.11374 8.37602 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 8.49164 9.37946 17.056 8.34216 11.1511 12.9271 5.7891 13.0153 4.11374 10.7555 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 8.49164 9.13646 13.8168 9.37946 17.056 9.48187 5.7891 13.0153 8.37602 4.11374 numMergedOcc 0
17 mol 169 unq 3 iso 0 dist 8.49164 9.13646 13.8168 8.34216 11.1511 5.14059 5.7891 13.0153 8.37602 10.7555 numMergedOcc 0
18 mol 231 unq 0 iso 0 dist 7.37839 7.3268 6.63423 9.9868 16.456 13.1222 4.15084 9.97669 8.48015 10.3218 numMergedOcc 0
19 mol 231 unq 1 iso 0 dist 8.40182 7.3268 10.3815 9.9868 17.7601 13.1222 4.15084 11.4076 8.48015 10.3218 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 6.73034 8.94786 8.57513 9.1927 6.0222 6.8233 10.1605 14.9259 9.454 14.4242 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 6.73034 8.94786 8.57513 9.60694 6.93212 15.2509 10.1605 14.9259 9.454 19.674 numMergedOcc 0
22 mol 253 unq 2 iso 0 dist 6.73034 8.94786 8.57513 9.27311 10.2118 17.0369 10.1605 14.9259 9.454 19.0779 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 9.7748 4.9764 11.8607 6.36559 10.9137 3.41319 3.97543 12.1398 5.13533 8.0969 numMergedOcc 0
