0 mol 24 unq 0 iso 0 dist 8.95376 4.89927 6.2004 8.52725 6.01284 6.86136 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.95376 4.89927 6.2004 6.08339 9.45579 7.31321 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.06656 13.0316 6.74848 5.43726 7.90721 10.0347 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.99188 10.0665 7.75295 6.79663 6.2676 6.81798 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.98939 4.35705 6.62229 6.45595 6.87028 5.45005 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 7.76666 5.93871 5.53589 3.79852 7.4515 6.23298 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.46327 10.4036 7.62611 8.99253 7.8435 14.9656 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.46327 10.4036 7.62611 3.78587 5.99269 11.5397 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 7.46327 10.4036 7.62611 10.5386 5.71763 5.43515 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.92412 12.9359 4.46777 15.6403 6.77921 3.98068 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.92412 11.5448 6.94988 15.6403 6.77921 10.1551 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.97579 4.37003 4.46777 6.90735 6.77921 3.98068 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.97579 4.34943 6.94988 6.90735 6.77921 10.1551 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 9.60646 10.23 7.25644 10.7996 9.43989 3.88427 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 6.78113 9.66017 8.2169 3.85894 7.88014 9.19427 numMergedOcc 0
15 mol 182 unq 1 iso 0 dist 6.78113 5.91922 8.52103 3.85894 7.88014 7.17714 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.67802 10.9082 4.5271 11.7817 7.04815 3.87169 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 9.67802 10.9082 4.5271 5.74741 6.07389 5.65634 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 9.67802 5.48326 7.02575 11.7817 7.04815 8.65911 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 9.67802 5.48326 7.02575 5.74741 6.07389 3.87082 numMergedOcc 0
20 mol 186 unq 4 iso 0 dist 9.18314 9.9497 4.5271 13.8203 7.04815 3.87169 numMergedOcc 0
21 mol 186 unq 5 iso 0 dist 9.18314 9.9497 4.5271 12.4955 6.07389 5.65634 numMergedOcc 0
22 mol 186 unq 6 iso 0 dist 9.18314 10.094 7.02575 13.8203 7.04815 8.65911 numMergedOcc 0
23 mol 186 unq 7 iso 0 dist 9.18314 10.094 7.02575 12.4955 6.07389 3.87082 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 5.89229 6.03908 8.57986 6.95386 6.25813 7.91487 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 4.57726 5.95332 9.32945 7.89755 8.04838 6.95765 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.31175 7.12113 9.30921 7.20921 5.8304 11.0079 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 8.31175 7.12113 9.30921 13.1821 7.37478 9.53157 numMergedOcc 0
