0 mol 5 unq 0 iso 0 dist 8.70824 11.97 9.17088 4.42081 8.97274 12.8419 10.7757 3.99762 12.7073 9.83318 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.76585 10.0424 9.21978 4.89928 6.57633 6.43237 10.3479 4.22382 12.8044 9.04117 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.76585 10.0424 9.21978 4.89928 6.57633 6.43237 5.44077 8.43173 12.7268 6.34215 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.76585 12.7554 8.03754 4.89928 6.57633 8.6477 10.3479 4.22382 10.9455 9.04117 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 9.76585 12.7554 8.03754 4.89928 6.57633 8.6477 5.44077 8.43173 10.2065 6.34215 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.33989 11.9403 7.46657 6.69911 6.55112 5.31985 7.25561 6.6711 11.272 8.12959 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.57953 9.03147 7.46657 3.94216 6.55112 5.31985 8.97499 6.6711 11.272 8.12959 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.66811 13.3909 8.41774 9.69359 7.94976 7.68889 12.8101 4.57152 11.0227 9.21757 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 9.66811 13.3909 8.41774 9.69359 7.94976 7.68889 15.5163 10.0143 10.2576 6.75471 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 8.02356 5.01007 8.57712 5.05961 8.99128 7.10286 5.16143 5.55092 8.66709 5.55218 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 5.60956 6.59758 8.41715 9.43003 8.18217 4.67135 13.0453 8.66083 11.6738 7.96541 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 5.60956 5.81821 7.79893 9.43003 8.18217 9.87321 13.0453 8.66083 14.9056 7.96541 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 5.13534 4.3226 7.7544 4.76079 5.97971 5.71898 11.8366 8.66115 13.3844 8.39573 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 9.35664 8.95444 7.04524 6.61517 6.65077 8.04534 13.9542 10.5362 14.2773 7.75518 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 5.81277 4.78067 6.23932 11.8763 9.79826 8.97813 17.6147 18.2651 14.4261 9.867 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 5.05912 4.2475 6.23932 6.10058 9.79826 8.97813 13.3777 18.2651 14.4261 9.867 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 6.60429 6.8901 6.23932 3.50446 9.79826 8.97813 12.8036 18.2651 14.4261 9.867 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.83514 5.65577 4.80834 3.68226 5.52788 7.06793 11.8266 7.18715 11.7876 9.67281 numMergedOcc 0
