0 mol 10 unq 0 iso 0 dist 9.31452 6.50444 4.75564 3.5691 8.98746 6.77807 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62527 9.90986 8.90517 3.30063 8.36742 8.97754 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.62527 9.90986 8.90517 8.44515 8.10028 13.5629 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 7.43758 9.3223 6.51818 5.35996 5.75809 9.2146 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.66843 8.69574 6.3858 4.46825 8.55903 8.91959 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.04611 9.05414 6.9307 7.21901 6.50622 13.1966 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 6.04611 9.05414 6.9307 5.83035 4.45433 10.7331 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.96066 7.58743 10.8503 5.73969 4.5892 9.21761 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 7.88704 7.84642 11.8383 3.71967 9.98298 11.1632 numMergedOcc 0
9 mol 83 unq 1 iso 0 dist 7.88704 7.84642 11.8383 6.15397 7.55036 13.8043 numMergedOcc 0
10 mol 83 unq 2 iso 0 dist 7.88704 7.84642 11.8383 13.8225 8.32248 19.4189 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 8.04448 5.33961 10.3972 9.39313 5.24616 8.77044 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.18252 6.0995 13.376 3.8493 5.85622 8.7081 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 8.18252 9.25525 9.76261 3.8493 5.85622 8.91052 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.53875 5.56446 9.00263 12.4943 7.43045 15.3055 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.53875 5.56446 9.00263 6 7.74168 9.92715 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 8.53875 5.56446 9.00263 8.90391 8.16507 12.4743 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 8.5081 5.06116 5.32843 11.9194 6.1247 9.92057 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.86364 9.31012 9.74608 3.42123 8.92555 10.7614 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.32196 9.99194 4.12472 4.71803 5.90826 9.71857 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.87224 7.63381 8.15025 13.7613 7.99963 10.5638 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.35799 7.37488 4.1816 11.2104 5.76793 9.83295 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 7.35799 7.37488 4.1816 9.14234 7.72276 7.90632 numMergedOcc 0
23 mol 279 unq 2 iso 0 dist 7.67032 8.41945 5.03747 9.78358 5.16266 4.98693 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 5.96202 7.81241 5.83652 6.35533 9.33601 11.5443 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 5.96202 9.52445 5.99759 6.35533 9.33601 11.6249 numMergedOcc 0
