0 mol 26 unq 0 iso 0 dist 7.46207 7.35595 8.82012 15.3546 13.2136 9.16962 10.2375 10.4035 4.80984 5.69955 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 12.2091 5.22626 8.33704 6.69775 6.54023 11.6542 9.31969 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.10011 10.0721 5.64598 10.1112 7.4697 8.70133 16.0036 13.1821 11.2505 7.04044 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.10011 10.0721 5.64598 8.124 5.7113 4.65521 16.0036 13.1821 11.2505 8.73253 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.124 10.0721 4.65521 10.1112 5.4148 8.70133 16.0036 8.73253 11.2505 7.04044 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 5.56964 10.2879 8.19682 8.88275 13.187 8.83525 4.79949 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.41567 7.5192 6.21982 5.56964 10.2879 8.19682 7.18485 11.2278 5.77727 7.27693 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 12.885 10.2879 8.19682 16.1084 13.187 8.83525 4.79949 numMergedOcc 0
8 mol 76 unq 3 iso 0 dist 6.62246 9.82998 6.21982 12.885 10.2879 8.19682 12.7451 11.2278 5.77727 7.27693 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.56728 8.46482 7.22293 13.2962 6.9948 9.47876 17.0217 11.2808 12.5072 7.1589 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 9.45397 4.98336 9.20981 9.01694 5.34214 5.94311 7.55384 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.45397 5.38332 9.20981 8.84523 4.98336 5.87358 9.01694 7.55384 5.94311 5.34214 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.97043 7.266 9.66954 12.9647 7.69052 8.66155 11.9046 10.9734 5.87507 5.72642 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 15.0798 6.63273 8.6243 16.1065 11.6142 8.15392 8.71039 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.99949 9.45501 6.91348 15.0798 6.63273 8.6243 14.8405 9.29384 6.01893 6.92648 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 12.3933 5.49782 8.79571 15.3258 10.873 9.65798 8.20836 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 7.27598 7.26771 5.42582 5.57904 5.00817 8.6355 5.98568 10.1537 11.9544 5.53031 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 5.57904 7.26771 8.6355 12.3933 8.80819 8.79571 15.3258 13.846 9.65798 8.20836 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 9.14908 11.8956 9.07935 10.9228 5.32922 7.15475 12.3976 12.432 5.14959 9.17106 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 12.0857 5.22356 6.95902 11.2986 8.38865 5.92529 5.4694 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.67917 10.761 9.90142 8.96639 5.40359 5.9216 6.85179 6.66971 5.8333 6.4398 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 8.96639 12.8735 9.68513 12.6253 10.1648 9.29858 6.85179 6.4398 6.48619 7.32982 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 8.96639 10.761 5.9216 5.67917 5.40359 9.90142 6.85179 6.4398 5.8333 6.66971 numMergedOcc 0
23 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 13.7335 4.28414 7.03489 17.2138 9.47583 9.75032 8.44909 numMergedOcc 0
