0 mol 26 unq 0 iso 0 dist 7.51406 9.20028 9.16962 6.81213 5.69955 4.80984 16.9245 13.2136 8.82012 10.4035 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 6.69775 6.54023 11.6542 12.2091 5.22626 8.33704 9.31969 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.124 10.0721 4.65521 16.0036 8.73253 11.2505 10.1112 5.4148 8.70133 7.04044 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.124 10.0721 4.65521 16.0036 8.73253 11.2505 6.10011 5.7113 5.64598 13.1821 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.56964 7.5192 8.19682 8.88275 4.79949 8.83525 8.41567 10.2879 6.21982 13.187 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 7.18485 7.27693 5.77727 8.41567 10.2879 6.21982 11.2278 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 9.01694 5.34214 5.94311 9.45397 4.98336 9.20981 7.55384 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 9.45397 5.38332 9.20981 9.01694 7.55384 5.94311 8.84523 4.98336 5.87358 5.34214 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 6.89245 7.77116 8.96522 12.7943 11.6667 7.39889 14.7025 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.88255 10.06 9.63176 6.89245 7.77116 8.96522 16.6272 12.4603 7.44174 13.1741 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 14.8405 9.29384 6.01893 15.0798 6.63273 8.6243 6.92648 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.57904 7.26771 8.6355 5.98568 5.53031 11.9544 12.3933 8.80819 8.79571 13.9396 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.57904 7.26771 8.6355 5.98568 5.53031 11.9544 7.27598 5.00817 5.42582 10.1537 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 7.97183 6.69515 8.00633 12.54 5.67306 9.54444 11.0888 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 11.2986 8.38865 5.92529 12.0857 5.22356 6.95902 5.4694 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 5.67917 10.761 9.90142 6.85179 6.66971 5.8333 8.96639 5.40359 5.9216 6.4398 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 8.96639 12.8735 9.68513 6.85179 6.4398 6.48619 12.6253 10.1648 9.29858 7.32982 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 8.96639 10.761 5.9216 6.85179 6.4398 5.8333 5.67917 5.40359 9.90142 6.66971 numMergedOcc 0
18 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 17.2138 9.47583 9.75032 13.7335 4.28414 7.03489 8.44909 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 7.31993 13.7563 9.09992 11.4436 9.19033 11.8912 12.3168 5.40809 6.73206 11.9971 numMergedOcc 0
