0 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 12.664 19.8233 9.83618 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 12.664 15.1871 9.83618 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.31827 10.6661 8.76003 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 8.78888 9.49626 9.44493 16.9284 16.7157 7.92394 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 8.78888 9.49626 9.44493 17.8674 19.3163 9.93423 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 8.78888 9.49626 9.44493 8.9375 15.129 9.34122 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.06901 5.48831 5.86484 5.94737 11.6281 7.321 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 5.84349 8.49531 10.3965 6.33328 11.1573 8.67367 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 6.87786 14.1142 9.94856 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 6.87786 6.793 9.94856 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 11.3386 11.3006 8.71128 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 10.0279 8.81198 6.50039 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 5.91786 8.64107 7.09627 10.0279 11.3523 6.50039 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.7402 8.84656 8.44345 13.386 13.1565 5.42582 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.7402 4.9155 7.46245 13.386 13.1565 8.6355 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 11.7065 19.3356 8.96511 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 9.55621 9.38169 4.98423 5.11961 7.9625 9.27478 numMergedOcc 0
17 mol 187 unq 1 iso 0 dist 8.8048 9.38169 10.0429 5.11961 8.9148 9.27478 numMergedOcc 0
18 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 10.2593 11.0654 7.95911 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.25412 9.66521 5.14019 5.52296 6.20188 5.86443 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 8.25412 9.66521 5.14019 6.32385 9.47836 7.22914 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 9.66751 13.5663 7.47164 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 9.66298 9.80409 13.6041 9.66751 12.6505 7.47164 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 7.70648 8.56781 6.35287 numMergedOcc 0
24 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 7.70648 9.95186 6.35287 numMergedOcc 0
25 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 7.70648 16.4732 6.35287 numMergedOcc 0
