0 mol 26 unq 0 iso 0 dist 9.44507 14.2845 8.98417 14.6525 9.5053 12.1122 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 5.66743 7.71964 7.96312 5.82138 7.45532 4.7474 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 5.66743 10.066 7.67129 5.82138 7.45532 9.37609 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 7.42669 13.2287 7.96312 9.93763 7.45532 4.7474 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 7.42669 14.8458 7.67129 9.93763 7.45532 9.37609 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.45566 11.5696 9.98746 6.36853 7.03307 11.2391 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.27794 7.3536 4.86767 11.393 9.35942 8.16908 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 8.27794 7.3536 4.86767 13.5888 7.42482 9.20674 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.66022 11.1994 8.12854 5.01124 8.85881 12.2787 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.6005 8.77017 8.03113 13.0273 8.79367 6.39362 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 7.6005 16.186 9.2638 13.0273 8.79367 8.61652 numMergedOcc 0
11 mol 116 unq 2 iso 0 dist 8.7583 7.43615 8.03113 13.1111 8.79367 6.39362 numMergedOcc 0
12 mol 116 unq 3 iso 0 dist 8.7583 17.5453 9.2638 13.1111 8.79367 8.61652 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.73484 9.39537 8.64019 4.63594 6.03352 6.87987 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.41073 7.75436 8.40219 15.2038 7.25644 14.4753 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 8.63323 10.4244 8.11292 5.5367 8.57005 13.9849 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 8.63323 5.55488 8.54006 5.5367 8.57005 7.2417 numMergedOcc 0
17 mol 162 unq 2 iso 0 dist 9.76987 6.32826 8.11292 12.8058 8.57005 13.9849 numMergedOcc 0
18 mol 162 unq 3 iso 0 dist 9.76987 11.3892 8.54006 12.8058 8.57005 7.2417 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 9.51638 7.46995 9.31172 7.11509 8.03528 10.2708 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.15381 9.50121 8.2232 5.87422 9.14486 7.55044 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 8.15381 8.94472 6.07229 5.87422 9.14486 5.84258 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.4513 4.68697 7.46122 5.37508 5.37796 5.41948 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 7.83422 9.592 9.25162 7.65577 8.28466 4.127 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 9.69704 13.127 9.29788 9.82329 8.15091 4.60689 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 9.69704 14.7487 9.50983 9.82329 8.15091 9.18036 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 8.4302 4.65989 8.64133 5.37527 6.82575 6.46467 numMergedOcc 0
