0 mol 34 unq 0 iso 0 dist 8.36524 8.8717 14.0576 10.8155 11.098 9.36424 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.9651 5.94459 8.53692 9.67231 13.3081 8.80104 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 9.32783 6.2442 4.79817 5.2745 8.96501 4.79413 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.9795 8.82052 4.18004 5.84688 9.47876 8.87194 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 6.31237 7.63006 5.60279 9.50524 10.3578 5.18655 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 6.34542 6.90574 6.39411 13.9086 14.0712 7.92876 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.86938 5.9819 8.56707 10.4394 11.6597 7.82011 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 7.42474 5.9819 12.6695 10.4394 17.5367 7.82011 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.44195 6.03116 6.45768 10.4329 11.8341 7.53158 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 6.44195 6.03116 6.45768 7.55279 11.7112 7.43407 numMergedOcc 0
10 mol 154 unq 2 iso 0 dist 7.34207 6.03116 6.55507 10.4329 13.3616 7.53158 numMergedOcc 0
11 mol 154 unq 3 iso 0 dist 7.34207 6.03116 6.55507 7.55279 11.2797 7.43407 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 9.66837 5.32135 5.05506 5.65278 12.2917 7.35329 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.52413 6.59729 10.3944 4.34714 13.3601 9.59034 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.59972 9.5853 5.4905 14.9891 14.8522 9.6013 numMergedOcc 0
15 mol 189 unq 1 iso 0 dist 8.59972 9.5853 5.4905 15.4181 13.0754 8.32712 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 6.03738 6.47064 10.753 10.353 15.6539 8.85215 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 7.40475 9.08064 5.99459 10.2858 6.07192 8.53148 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 6.17985 8.62351 5.89666 7.02444 7.66365 5.2361 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 6.17985 8.62351 5.89666 13.7396 10.765 5.57515 numMergedOcc 0
20 mol 252 unq 2 iso 0 dist 6.17985 8.62351 5.89666 14.6186 13.5038 8.28694 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.80409 5.67349 6.04016 9.66751 7.47164 9.24121 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 9.91518 9.06043 6.54009 5.38386 12.9186 9.80746 numMergedOcc 0
23 mol 278 unq 1 iso 0 dist 9.91518 9.06043 6.54009 7.70648 6.35287 9.48589 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 9.98268 8.79958 11.8906 8.84794 10.0956 8.27054 numMergedOcc 0
25 mol 284 unq 1 iso 0 dist 6.83147 8.79958 6.4399 8.84794 8.41504 8.27054 numMergedOcc 0
26 mol 284 unq 2 iso 0 dist 7.43241 8.79958 13.016 8.84794 14.711 8.27054 numMergedOcc 0
