0 mol 64 unq 0 iso 0 dist 9.99634 11.6323 9.54144 8.21081 9.80142 6.23335 13.7301 10.6748 8.68586 13.3487 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 9.1329 11.1364 7.51358 16.0648 8.93296 8.12939 9.03114 7.40574 8.32298 14.2495 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 5.26938 7.62644 7.51358 10.8096 8.93296 8.12939 8.91602 7.40574 8.32298 14.2495 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 6.8014 5.5768 7.51358 4.56692 8.93296 8.12939 11.835 7.40574 8.32298 14.2495 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 6.85677 11.7378 8.43904 9.87733 9.80862 4.84196 14.3566 9.22558 6.19042 10.2144 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 9.05626 5.53247 6.89257 8.63186 8.74308 6.09983 10.2152 6.83397 6.79146 11.9081 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 9.05626 5.53247 6.89257 8.63186 8.74308 6.09983 12.8824 7.50049 7.66168 9.12581 numMergedOcc 0
7 mol 130 unq 2 iso 0 dist 9.05626 8.63186 8.74308 5.53247 6.89257 6.09983 12.8824 7.50049 9.12581 7.66168 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.53758 6.40439 8.87452 6.76022 7.68368 6.0706 13.7468 12.1545 9.17284 13.2459 numMergedOcc 0
9 mol 155 unq 1 iso 0 dist 6.53758 6.40439 8.87452 6.76022 7.68368 6.0706 10.2332 4.66274 9.87281 8.27111 numMergedOcc 0
10 mol 155 unq 2 iso 0 dist 6.53758 6.76022 7.68368 6.40439 8.87452 6.0706 10.2332 4.66274 8.27111 9.87281 numMergedOcc 0
11 mol 155 unq 3 iso 0 dist 7.28355 10.0058 7.16254 10.5375 9.86313 7.63368 10.2528 5.71071 9.14392 7.51198 numMergedOcc 0
12 mol 155 unq 4 iso 0 dist 7.28355 10.5375 9.86313 10.0058 7.16254 7.63368 10.2528 5.71071 7.51198 9.14392 numMergedOcc 0
13 mol 155 unq 5 iso 0 dist 8.66709 7.00069 7.39644 14.2312 7.70572 9.42764 9.91732 10.7616 7.36102 14.545 numMergedOcc 0
14 mol 155 unq 6 iso 0 dist 8.66709 14.2312 7.70572 7.00069 7.39644 9.42764 15.5422 7.01918 8.65888 13.1369 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 9.88212 12.7227 7.17547 13.5954 7.18041 9.17818 11.5094 7.83217 7.13323 13.9223 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 4.79841 7.32238 6.67585 5.64308 7.06793 6.88258 9.04374 4.70378 6.65984 10.0414 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 9.97357 11.4732 7.17676 14.1057 6.68463 7.88539 6.36941 7.28249 5.34718 10.5713 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.89538 13.2905 6.77463 10.4286 7.2766 10.9258 13.8505 5.31152 8.14172 8.09066 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.89538 10.4286 7.2766 13.2905 6.77463 10.9258 15.5527 8.87326 6.05141 10.6978 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 8.89538 10.4286 7.2766 13.2905 6.77463 10.9258 13.8505 5.31152 8.09066 8.14172 numMergedOcc 0
21 mol 240 unq 0 iso 0 dist 6.01168 6.40204 6.15305 11.4113 8.0951 11.0721 7.72928 4.28414 7.03489 12.1358 numMergedOcc 0
22 mol 240 unq 1 iso 0 dist 6.83069 10.6805 6.15305 5.79056 8.0951 11.0721 9.30995 4.28414 7.03489 12.1358 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 6.62923 6.99865 9.09992 10.3424 6.16449 9.75529 4.78812 5.40809 6.73206 10.1966 numMergedOcc 0
