0 mol 7 unq 0 iso 0 dist 9.26914 12.1468 7.10621 18.2699 9.67164 13.156 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 7.60252 7.54416 8.8178 8.34938 7.12321 4.27726 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 7.60252 9.89539 9.96708 8.34938 7.12321 7.47371 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.83265 6.69737 8.70481 13.7606 5.5087 11.2069 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.83265 6.69737 8.70481 12.8912 6.08682 10.6713 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 6.89004 11.5995 9.36773 4.02602 7.80898 12.1193 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.12086 13.7041 9.03572 14.1258 8.27883 4.99174 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.12086 13.7041 9.03572 9.66145 5.75428 4.46005 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 6.12086 13.7041 9.03572 9.58465 8.57395 8.28518 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 6.12086 13.7041 9.03572 4.62357 9.85409 15.917 numMergedOcc 0
10 mol 95 unq 4 iso 0 dist 6.12086 11.3093 8.83255 14.1258 8.27883 8.67311 numMergedOcc 0
11 mol 95 unq 5 iso 0 dist 6.12086 11.3093 8.83255 9.66145 5.75428 3.94293 numMergedOcc 0
12 mol 95 unq 6 iso 0 dist 6.12086 11.3093 8.83255 9.58465 8.57395 9.22202 numMergedOcc 0
13 mol 95 unq 7 iso 0 dist 6.12086 11.3093 8.83255 4.62357 9.85409 13.7484 numMergedOcc 0
14 mol 95 unq 8 iso 0 dist 6.12086 4.98369 8.03644 14.1258 8.27883 15.6249 numMergedOcc 0
15 mol 95 unq 9 iso 0 dist 6.12086 4.98369 8.03644 9.66145 5.75428 12.4896 numMergedOcc 0
16 mol 95 unq 10 iso 0 dist 6.12086 4.98369 8.03644 9.58465 8.57395 14.2178 numMergedOcc 0
17 mol 95 unq 11 iso 0 dist 6.12086 4.98369 8.03644 4.62357 9.85409 8.78079 numMergedOcc 0
18 mol 95 unq 12 iso 0 dist 7.93544 11.3277 9.03572 11.9393 8.27883 4.99174 numMergedOcc 0
19 mol 95 unq 13 iso 0 dist 7.93544 11.3277 9.03572 7.07287 5.75428 4.46005 numMergedOcc 0
20 mol 95 unq 14 iso 0 dist 7.93544 11.3277 9.03572 10.9926 8.57395 8.28518 numMergedOcc 0
21 mol 95 unq 15 iso 0 dist 7.93544 11.3277 9.03572 10.7612 9.85409 15.917 numMergedOcc 0
22 mol 95 unq 16 iso 0 dist 7.93544 5.822 8.83255 11.9393 8.27883 8.67311 numMergedOcc 0
23 mol 95 unq 17 iso 0 dist 7.93544 5.822 8.83255 7.07287 5.75428 3.94293 numMergedOcc 0
24 mol 95 unq 18 iso 0 dist 7.93544 5.822 8.83255 10.9926 8.57395 9.22202 numMergedOcc 0
25 mol 95 unq 19 iso 0 dist 7.93544 5.822 8.83255 10.7612 9.85409 13.7484 numMergedOcc 0
26 mol 95 unq 20 iso 0 dist 7.93544 9.11942 8.03644 11.9393 8.27883 15.6249 numMergedOcc 0
27 mol 95 unq 21 iso 0 dist 7.93544 9.11942 8.03644 7.07287 5.75428 12.4896 numMergedOcc 0
28 mol 95 unq 22 iso 0 dist 7.93544 9.11942 8.03644 10.9926 8.57395 14.2178 numMergedOcc 0
29 mol 95 unq 23 iso 0 dist 7.93544 9.11942 8.03644 10.7612 9.85409 8.78079 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 7.86754 8.48326 8.69985 4.89867 8.52024 5.00433 numMergedOcc 0
31 mol 109 unq 1 iso 0 dist 5.8729 9.80725 8.69985 10.2645 7.07971 4.69373 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 5.43031 5.21064 7.71338 8.3383 8.47988 6.95317 numMergedOcc 0
33 mol 112 unq 1 iso 0 dist 5.43031 5.21064 7.71338 5.07427 8.0427 7.57713 numMergedOcc 0
34 mol 122 unq 0 iso 0 dist 5.94669 5.89212 8.37808 8.30405 6.00603 6.15636 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 9.20372 4.88092 8.40312 6.764 9.27976 3.98662 numMergedOcc 0
36 mol 132 unq 0 iso 0 dist 8.54009 4.98777 7.7059 11.0981 6.89918 12.9631 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 6.2109 11.6923 6.29155 6.10716 8.77023 13.0405 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 6.2109 12.4997 6.80239 6.10716 8.77023 13.7612 numMergedOcc 0
39 mol 133 unq 2 iso 0 dist 6.2109 10.8963 8.00618 6.10716 8.77023 15.0115 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 6.90378 8.11604 9.2313 9.67929 7.81207 4.67662 numMergedOcc 0
41 mol 142 unq 1 iso 0 dist 6.90378 8.11604 9.2313 6.32951 7.18002 13.5913 numMergedOcc 0
42 mol 142 unq 2 iso 0 dist 6.90378 5.39629 7.73169 9.67929 7.81207 5.81599 numMergedOcc 0
43 mol 142 unq 3 iso 0 dist 6.90378 5.39629 7.73169 6.32951 7.18002 9.99555 numMergedOcc 0
44 mol 142 unq 4 iso 0 dist 6.90378 5.4779 8.96657 9.67929 7.81207 11.1 numMergedOcc 0
45 mol 142 unq 5 iso 0 dist 6.90378 5.4779 8.96657 6.32951 7.18002 6.52253 numMergedOcc 0
46 mol 142 unq 6 iso 0 dist 7.01955 8.11604 5.31024 9.67929 6.14151 4.67662 numMergedOcc 0
47 mol 142 unq 7 iso 0 dist 7.01955 5.39629 7.26382 9.67929 6.14151 5.81599 numMergedOcc 0
48 mol 205 unq 0 iso 0 dist 6.40983 8.48013 6.03031 10.418 6.52816 9.49403 numMergedOcc 0
49 mol 205 unq 1 iso 0 dist 6.40983 9.6739 7.26832 10.418 6.52816 13.514 numMergedOcc 0
50 mol 205 unq 2 iso 0 dist 6.40983 11.3983 7.80463 10.418 6.52816 3.56269 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 9.07855 15.5856 7.46176 11.2726 5.85442 10.067 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 9.07855 15.5856 7.46176 9.26271 6.95511 11.6988 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 8.61945 9.21781 9.7748 12.6855 9.35539 11.4555 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 8.61945 9.21781 9.7748 15.9144 8.9682 17.6038 numMergedOcc 0
55 mol 277 unq 2 iso 0 dist 8.61945 9.21781 9.7748 13.156 6.92711 14.772 numMergedOcc 0
