0 mol 46 unq 0 iso 0 dist 8.37969 6.09371 8.2513 12.9122 17.0196 8.99557 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.52979 9.28685 7.68916 8.87569 10.8037 9.89949 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.40871 15.2043 7.80757 8.13368 4.4651 7.50417 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 8.40871 6.23394 9.2835 5.8409 7.17843 8.29369 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 8.40871 7.51473 5.02591 5.8409 7.17843 6.75455 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 8.40871 7.51473 5.02591 8.13368 4.4651 6.28063 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.81252 10.6668 6.06543 13.0964 4.1386 6.34761 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.49404 5.1971 6.38977 7.56833 5.6098 8.74464 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.58465 9.03774 8.03567 13.6095 5.97308 8.40514 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.65951 9.46843 7.92766 10.069 10.6493 6.99474 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.14829 14.3686 7.92766 14.7202 10.6493 6.99474 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 8.67044 6.76595 4.71403 6.02401 4.70115 5.67616 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 6.9028 14.2022 7.96424 11.5312 8.20031 6.79839 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 7.23901 13.7941 7.96424 14.0955 8.20031 6.79839 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 9.55574 5.57575 6.7283 9.01177 11.6171 6.68688 numMergedOcc 0
15 mol 252 unq 1 iso 0 dist 9.55574 5.57575 6.7283 13.6892 5.90619 9.17576 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 8.70852 16.8784 9.34738 14.5816 6.30197 6.37648 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 9.89728 16.8784 9.47382 14.5816 9.84081 6.37648 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 6.87804 5.50967 5.69465 6.84909 8.04474 9.22345 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 6.07571 11.1934 5.69465 10.1584 8.04474 9.22345 numMergedOcc 0
