0 mol 5 unq 0 iso 0 dist 8.70824 4.42081 8.97274 10.7757 3.99762 9.83318 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.93404 4.42081 7.5815 10.7757 8.19993 9.83318 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.76585 4.89928 6.57633 10.3479 4.22382 9.04117 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.76585 4.89928 6.57633 5.44077 8.43173 6.34215 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 7.94701 5.07389 5.63499 13.1423 12.2389 8.79235 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.33989 6.69911 6.55112 7.25561 6.6711 8.12959 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.57953 3.94216 6.55112 8.97499 6.6711 8.12959 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.55798 6.35003 6.30814 9.25766 9.88522 7.7288 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.66811 9.69359 7.94976 12.8101 4.57152 9.21757 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.66811 9.69359 7.94976 15.5163 10.0143 6.75471 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.02356 5.05961 8.99128 5.16143 5.55092 5.55218 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 8.78412 12.5289 6.07906 19.3854 11.1291 8.8201 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 5.60956 9.43003 8.18217 13.0453 8.66083 7.96541 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.13534 4.76079 5.97971 11.8366 8.66115 8.39573 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.36789 9.03587 8.09915 5.31333 3.82682 5.27578 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 6.36789 9.03587 8.09915 10.5988 4.84679 8.25953 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 9.35664 6.61517 6.65077 13.9542 10.5362 7.75518 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.81277 11.8763 9.79826 17.6147 18.2651 9.867 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.47833 6.10058 7.53734 13.3777 17.3532 9.867 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 5.05912 6.10058 9.79826 13.3777 18.2651 9.867 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 5.47586 3.50446 7.53734 12.8036 17.3532 9.867 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 6.60429 3.50446 9.79826 12.8036 18.2651 9.867 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 6.97662 9.92088 8.69052 6.22332 4.37243 7.50697 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.83514 3.68226 5.52788 11.8266 7.18715 9.67281 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 5.90728 5.14231 5.32876 9.52933 6.51788 5.7547 numMergedOcc 0
