0 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 6.4301 6.07553 5.86882 14.9821 8.60554 8.52463 11.3314 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 6.4301 6.07553 5.86882 13.0288 8.44664 10.971 7.262 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 6.4301 6.07553 5.86882 18.8056 9.44691 13.4893 13.1723 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.90845 9.59761 8.86116 14.7095 6.48457 9.9259 14.9821 8.60554 8.52463 3.4435 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.90845 9.59761 8.86116 14.7095 6.48457 9.9259 13.0288 8.44664 10.971 12.7748 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.90845 9.59761 8.86116 14.7095 6.48457 9.9259 18.8056 9.44691 13.4893 7.63657 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 9.90845 9.89489 8.38394 6.4301 6.07553 3.96228 14.9821 8.60554 12.3994 11.3314 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 9.90845 9.89489 8.38394 6.4301 6.07553 3.96228 13.0288 8.44664 5.30734 7.262 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 9.90845 9.89489 8.38394 6.4301 6.07553 3.96228 18.8056 9.44691 12.505 13.1723 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 9.90845 9.89489 8.38394 14.7095 6.48457 12.2071 14.9821 8.60554 12.3994 3.4435 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 9.90845 9.89489 8.38394 14.7095 6.48457 12.2071 13.0288 8.44664 5.30734 12.7748 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 9.90845 9.89489 8.38394 14.7095 6.48457 12.2071 18.8056 9.44691 12.505 7.63657 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.59893 11.9881 9.5589 9.14774 8.58658 14.436 8.02105 7.21717 15.293 3.8037 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 9.14774 8.58658 14.3129 8.02105 7.21717 13.86 3.8037 numMergedOcc 0
14 mol 54 unq 2 iso 0 dist 6.59893 12.4254 8.10861 9.14774 8.58658 7.98156 8.02105 7.21717 5.99981 3.8037 numMergedOcc 0
15 mol 54 unq 3 iso 0 dist 5.59773 13.9079 9.5589 10.7832 8.58658 14.436 7.93241 7.21717 15.293 3.8037 numMergedOcc 0
16 mol 54 unq 4 iso 0 dist 5.59773 10.4238 6.83299 10.7832 8.58658 14.3129 7.93241 7.21717 13.86 3.8037 numMergedOcc 0
17 mol 54 unq 5 iso 0 dist 5.59773 10.1356 8.10861 10.7832 8.58658 7.98156 7.93241 7.21717 5.99981 3.8037 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.11955 7.96098 6.80239 5.57013 8.75049 5.58281 4.7146 5.87634 4.54648 5.21958 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 11.1811 6.62757 13.4456 10.5222 9.39352 7.27408 11.3992 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 9.00898 5.96451 9.29945 16.482 9.36354 14.5359 10.5222 9.39352 7.27408 9.28375 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.64299 7.69739 7.09863 3.73175 6.40086 6.16261 9.17153 6.02296 6.35849 5.78036 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 7.79865 5.3251 7.37839 10.7916 7.31553 6.58152 7.00432 6.98875 6.37275 6.90849 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 8.27718 9.18589 10.3659 6.63685 6.30154 7.44558 14.0878 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 5.00515 5.16023 8.41436 8.27718 9.18589 10.3659 10.6768 7.32499 10.7902 11.7131 numMergedOcc 0
25 mol 234 unq 2 iso 0 dist 5.00515 10.2063 8.92474 8.27718 9.18589 10.4355 6.63685 6.30154 10.9712 14.0878 numMergedOcc 0
26 mol 234 unq 3 iso 0 dist 5.00515 10.2063 8.92474 8.27718 9.18589 10.4355 10.6768 7.32499 4.4288 11.7131 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 5.81927 9.49027 6.97229 9.26924 5.8473 6.87078 7.15953 7.6595 6.7919 5.58975 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 5.81927 9.49027 6.97229 10.3067 6.78929 4.5427 7.15953 7.6595 6.7919 10.4681 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 10.5788 8.48407 14.5632 6.28052 5.93616 7.52936 10.7977 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 5.84383 8.98154 8.93097 14.679 9.85289 6.20558 10.4158 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 9.696 5.1874 8.49997 5.84383 8.98154 6.55065 14.679 9.85289 11.4459 10.4158 numMergedOcc 0
