0 mol 44 unq 0 iso 0 dist 8.35366 3.80273 8.69829 7.794 8.47518 9.3469 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 8.69829 3.80273 8.35366 9.3469 8.47518 7.794 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 6.30541 6.18128 6.14602 4.68435 6.11574 4.0144 numMergedOcc 0
3 mol 44 unq 1 iso 1 dist 6.14602 6.18128 6.30541 4.0144 6.11574 4.68435 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.88704 8.83339 6.55352 10.1307 8.49115 4.05107 numMergedOcc 0
5 mol 83 unq 0 iso 1 dist 6.55352 8.83339 7.88704 4.05107 8.49115 10.1307 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 7.88704 15.8521 9.05437 10.1307 8.49115 10.8153 numMergedOcc 0
7 mol 83 unq 1 iso 1 dist 9.05437 15.8521 7.88704 10.8153 8.49115 10.1307 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.88704 14.6805 9.00625 10.1307 8.49115 13.7522 numMergedOcc 0
9 mol 83 unq 2 iso 1 dist 9.00625 14.6805 7.88704 13.7522 8.49115 10.1307 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 6.55352 8.80345 9.05437 4.05107 8.49115 10.8153 numMergedOcc 0
11 mol 83 unq 1 iso 1 dist 9.05437 8.80345 6.55352 10.8153 8.49115 4.05107 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 6.55352 10.2613 9.00625 4.05107 8.49115 13.7522 numMergedOcc 0
13 mol 83 unq 2 iso 1 dist 9.00625 10.2613 6.55352 13.7522 8.49115 4.05107 numMergedOcc 0
14 mol 83 unq 2 iso 0 dist 9.05437 6.27574 9.00625 10.8153 8.49115 13.7522 numMergedOcc 0
15 mol 83 unq 2 iso 1 dist 9.00625 6.27574 9.05437 13.7522 8.49115 10.8153 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 8.18252 6.55152 7.55531 17.3577 9.20236 15.2873 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 7.55531 6.55152 8.18252 15.2873 9.20236 17.3577 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.87592 5.11161 8.37388 4.64507 9.47253 6.90898 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 8.37388 5.11161 5.87592 6.90898 9.47253 4.64507 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 8.40395 14.3979 8.5081 4.10702 6.86189 11.6037 numMergedOcc 0
21 mol 154 unq 0 iso 1 dist 8.5081 14.3979 8.40395 11.6037 6.86189 4.10702 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 8.43256 3.90258 8.14202 8.07962 8.09309 5.22715 numMergedOcc 0
23 mol 175 unq 0 iso 1 dist 8.14202 3.90258 8.43256 5.22715 8.09309 8.07962 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.43427 8.27713 7.50841 4.32641 9.11823 5.84356 numMergedOcc 0
25 mol 218 unq 0 iso 1 dist 7.50841 8.27713 7.43427 5.84356 9.11823 4.32641 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 9.69499 5.34154 7.44279 7.36342 7.91178 3.97384 numMergedOcc 0
27 mol 241 unq 0 iso 1 dist 7.44279 5.34154 9.69499 3.97384 7.91178 7.36342 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 9.16789 11.9396 8.19381 4.30655 6.2667 8.49995 numMergedOcc 0
29 mol 244 unq 0 iso 1 dist 8.19381 11.9396 9.16789 8.49995 6.2667 4.30655 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 8.52434 5.62511 8.63767 14.6432 8.59384 16.6108 numMergedOcc 0
31 mol 250 unq 0 iso 1 dist 8.63767 5.62511 8.52434 16.6108 8.59384 14.6432 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.40631 3.85783 5.97798 6.27821 7.346 5.87385 numMergedOcc 0
33 mol 273 unq 0 iso 1 dist 5.97798 3.85783 9.40631 5.87385 7.346 6.27821 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 9.40631 7.98105 8.76527 6.27821 7.346 3.92089 numMergedOcc 0
35 mol 273 unq 1 iso 1 dist 8.76527 7.98105 9.40631 3.92089 7.346 6.27821 numMergedOcc 0
36 mol 273 unq 2 iso 0 dist 9.83374 8.25517 5.75335 5.87385 7.84151 3.92089 numMergedOcc 0
37 mol 273 unq 2 iso 1 dist 5.75335 8.25517 9.83374 3.92089 7.84151 5.87385 numMergedOcc 0
38 mol 273 unq 3 iso 0 dist 9.83374 8.25517 5.75335 14.3152 7.85797 9.51983 numMergedOcc 0
39 mol 273 unq 3 iso 1 dist 5.75335 8.25517 9.83374 9.51983 7.85797 14.3152 numMergedOcc 0
40 mol 273 unq 1 iso 0 dist 5.97798 8.25517 8.76527 5.87385 7.346 3.92089 numMergedOcc 0
41 mol 273 unq 1 iso 1 dist 8.76527 8.25517 5.97798 3.92089 7.346 5.87385 numMergedOcc 0
42 mol 276 unq 0 iso 0 dist 9.51947 4.22267 8.9021 5.20175 5.54217 4.13451 numMergedOcc 0
43 mol 276 unq 0 iso 1 dist 8.9021 4.22267 9.51947 4.13451 5.54217 5.20175 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 8.12461 5.96716 9.027 8.61682 7.25282 4.80425 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 9.027 5.96716 8.12461 4.80425 7.25282 8.61682 numMergedOcc 0
46 mol 283 unq 0 iso 0 dist 9.69083 10.8201 5.96202 6.50939 6.53354 4.89148 numMergedOcc 0
47 mol 283 unq 0 iso 1 dist 5.96202 10.8201 9.69083 4.89148 6.53354 6.50939 numMergedOcc 0
48 mol 283 unq 1 iso 0 dist 9.69083 10.8201 5.96202 14.2956 6.93798 4.01355 numMergedOcc 0
49 mol 283 unq 1 iso 1 dist 5.96202 10.8201 9.69083 4.01355 6.93798 14.2956 numMergedOcc 0
50 mol 283 unq 2 iso 0 dist 9.69083 10.4316 9.55068 6.50939 6.53354 5.57192 numMergedOcc 0
51 mol 283 unq 2 iso 1 dist 9.55068 10.4316 9.69083 5.57192 6.53354 6.50939 numMergedOcc 0
52 mol 283 unq 3 iso 0 dist 9.69083 10.4316 9.55068 14.2956 6.93798 9.29592 numMergedOcc 0
53 mol 283 unq 3 iso 1 dist 9.55068 10.4316 9.69083 9.29592 6.93798 14.2956 numMergedOcc 0
54 mol 283 unq 2 iso 0 dist 5.96202 7.7635 9.55068 4.89148 6.53354 5.57192 numMergedOcc 0
55 mol 283 unq 2 iso 1 dist 9.55068 7.7635 5.96202 5.57192 6.53354 4.89148 numMergedOcc 0
56 mol 283 unq 3 iso 0 dist 5.96202 7.7635 9.55068 4.01355 6.93798 9.29592 numMergedOcc 0
57 mol 283 unq 3 iso 1 dist 9.55068 7.7635 5.96202 9.29592 6.93798 4.01355 numMergedOcc 0
