0 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 11.3059 9.89425 9.58844 15.0022 6.83186 3.56133 12.0683 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.80828 4.78536 5.34723 5.45544 5.99655 4.60536 4.52631 9.2087 5.64409 8.80559 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.26877 4.16088 7.16443 12.0497 7.78689 8.78858 5.39197 8.22812 5.59994 9.26377 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.26877 4.16088 7.16443 12.0497 7.78689 8.78858 9.53255 4.22002 7.78417 4.88527 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.26877 4.16088 7.16443 12.0497 7.78689 8.78858 7.75132 5.77855 5.47187 4.76279 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.26877 4.16088 7.16443 12.0497 7.78689 8.78858 14.2848 8.10774 12.2824 5.56357 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.26877 4.16088 7.16443 12.0497 7.78689 8.78858 12.4977 6.5241 12.3016 9.94951 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.99434 8.93697 7.16443 5.76698 7.78689 8.78858 12.2756 8.22812 5.59994 9.26377 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 7.99434 8.93697 7.16443 5.76698 7.78689 8.78858 8.12843 4.22002 7.78417 4.88527 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.99434 8.93697 7.16443 5.76698 7.78689 8.78858 8.16676 5.77855 5.47187 4.76279 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.99434 8.93697 7.16443 5.76698 7.78689 8.78858 9.72202 8.10774 12.2824 5.56357 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.99434 8.93697 7.16443 5.76698 7.78689 8.78858 12.7252 6.5241 12.3016 9.94951 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 7.49794 4.09894 7.08628 11.3706 7.70645 8.51227 13.819 8.14245 12.2601 5.43784 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 7.49794 4.09894 7.08628 11.3706 7.70645 8.51227 11.8742 6.36817 12.2529 9.7018 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 7.49794 4.09894 7.08628 11.3706 7.70645 8.51227 5.44298 8.0812 5.98272 8.95384 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 7.49794 4.09894 7.08628 11.3706 7.70645 8.51227 9.10301 4.17933 7.83821 4.57947 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 7.49794 4.09894 7.08628 11.3706 7.70645 8.51227 7.24268 5.54893 5.51708 4.60843 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 8.10222 8.4264 7.08628 5.75684 7.70645 8.51227 9.57893 8.14245 12.2601 5.43784 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 8.10222 8.4264 7.08628 5.75684 7.70645 8.51227 12.6437 6.36817 12.2529 9.7018 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 8.10222 8.4264 7.08628 5.75684 7.70645 8.51227 12.0687 8.0812 5.98272 8.95384 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 8.10222 8.4264 7.08628 5.75684 7.70645 8.51227 7.88988 4.17933 7.83821 4.57947 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 8.10222 8.4264 7.08628 5.75684 7.70645 8.51227 8.00934 5.54893 5.51708 4.60843 numMergedOcc 0
22 mol 76 unq 0 iso 0 dist 5.91098 13.8036 8.90522 13.363 9.57759 5.19248 11.6853 7.66068 10.865 9.50354 numMergedOcc 0
23 mol 76 unq 1 iso 0 dist 5.91098 13.8036 8.90522 13.363 9.57759 5.19248 15.0489 9.5043 10.2651 12.0331 numMergedOcc 0
24 mol 76 unq 2 iso 0 dist 5.91098 13.8036 8.90522 13.363 9.57759 5.19248 14.2393 8.34132 5.92868 9.2434 numMergedOcc 0
25 mol 76 unq 3 iso 0 dist 4.86523 6.63393 8.90522 7.37421 9.57759 5.19248 4.94673 7.66068 10.865 9.50354 numMergedOcc 0
26 mol 76 unq 4 iso 0 dist 4.86523 6.63393 8.90522 7.37421 9.57759 5.19248 5.78236 9.5043 10.2651 12.0331 numMergedOcc 0
27 mol 76 unq 5 iso 0 dist 4.86523 6.63393 8.90522 7.37421 9.57759 5.19248 4.73151 8.34132 5.92868 9.2434 numMergedOcc 0
28 mol 79 unq 0 iso 0 dist 4.2253 5.79235 5.82384 5.21981 4.74254 6.19285 8.65653 6.20144 4.39784 7.19532 numMergedOcc 0
29 mol 79 unq 1 iso 0 dist 4.2253 8.29654 7.15907 5.21981 4.74254 4.47084 8.65653 6.20144 5.01567 7.19532 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 8.66427 10.6818 6.54289 12.4236 5.37869 7.2898 11.9441 9.09711 15.6048 11.8779 numMergedOcc 0
31 mol 85 unq 1 iso 0 dist 8.66427 10.6818 6.54289 12.4236 5.37869 7.2898 13.8217 7.04244 10.803 3.65186 numMergedOcc 0
32 mol 85 unq 2 iso 0 dist 8.66427 10.6818 6.54289 12.4236 5.37869 7.2898 5.26904 7.07839 11.6623 10.0372 numMergedOcc 0
33 mol 85 unq 3 iso 0 dist 8.66427 10.6818 6.54289 12.4236 5.37869 7.2898 6.77316 7.91193 13.4097 11.7094 numMergedOcc 0
34 mol 85 unq 4 iso 0 dist 8.66427 10.6818 6.54289 12.4236 5.37869 7.2898 9.54731 9.63449 5.49707 12.2971 numMergedOcc 0
35 mol 85 unq 5 iso 0 dist 8.66427 10.6818 6.54289 9.61831 4.05415 4.13305 11.9441 9.09711 15.6048 12.4835 numMergedOcc 0
36 mol 85 unq 6 iso 0 dist 8.66427 10.6818 6.54289 9.61831 4.05415 4.13305 13.8217 7.04244 10.803 7.00044 numMergedOcc 0
37 mol 85 unq 7 iso 0 dist 8.66427 10.6818 6.54289 9.61831 4.05415 4.13305 5.26904 7.07839 11.6623 8.78995 numMergedOcc 0
38 mol 85 unq 8 iso 0 dist 8.66427 10.6818 6.54289 9.61831 4.05415 4.13305 6.77316 7.91193 13.4097 10.7591 numMergedOcc 0
39 mol 85 unq 9 iso 0 dist 8.66427 10.6818 6.54289 9.61831 4.05415 4.13305 9.54731 9.63449 5.49707 8.64367 numMergedOcc 0
40 mol 85 unq 10 iso 0 dist 8.66427 10.6818 6.54289 11.3963 9.97944 6.42723 11.9441 9.09711 15.6048 17.9023 numMergedOcc 0
41 mol 85 unq 11 iso 0 dist 8.66427 10.6818 6.54289 11.3963 9.97944 6.42723 13.8217 7.04244 10.803 16.1804 numMergedOcc 0
42 mol 85 unq 12 iso 0 dist 8.66427 10.6818 6.54289 11.3963 9.97944 6.42723 6.77316 7.91193 13.4097 15.1209 numMergedOcc 0
43 mol 85 unq 13 iso 0 dist 8.66427 10.6818 6.54289 11.3963 9.97944 6.42723 5.26904 7.07839 11.6623 14.2664 numMergedOcc 0
44 mol 85 unq 14 iso 0 dist 8.66427 10.6818 6.54289 11.3963 9.97944 6.42723 9.54731 9.63449 5.49707 3.21259 numMergedOcc 0
45 mol 85 unq 15 iso 0 dist 8.66427 6.24598 7.52869 12.4236 5.37869 8.37735 11.9441 9.09711 11.6463 11.8779 numMergedOcc 0
46 mol 85 unq 16 iso 0 dist 8.66427 6.24598 7.52869 12.4236 5.37869 8.37735 13.8217 7.04244 9.46256 3.65186 numMergedOcc 0
47 mol 85 unq 17 iso 0 dist 8.66427 6.24598 7.52869 12.4236 5.37869 8.37735 5.26904 7.07839 4.86391 10.0372 numMergedOcc 0
48 mol 85 unq 18 iso 0 dist 8.66427 6.24598 7.52869 12.4236 5.37869 8.37735 9.54731 9.63449 11.3191 12.2971 numMergedOcc 0
49 mol 85 unq 19 iso 0 dist 8.66427 6.24598 7.52869 12.4236 5.37869 8.37735 6.77316 7.91193 8.06224 11.7094 numMergedOcc 0
50 mol 85 unq 20 iso 0 dist 8.66427 6.24598 7.52869 9.61831 4.05415 6.66973 11.9441 9.09711 11.6463 12.4835 numMergedOcc 0
51 mol 85 unq 21 iso 0 dist 8.66427 6.24598 7.52869 9.61831 4.05415 6.66973 13.8217 7.04244 9.46256 7.00044 numMergedOcc 0
52 mol 85 unq 22 iso 0 dist 8.66427 6.24598 7.52869 9.61831 4.05415 6.66973 5.26904 7.07839 4.86391 8.78995 numMergedOcc 0
53 mol 85 unq 23 iso 0 dist 8.66427 6.24598 7.52869 9.61831 4.05415 6.66973 9.54731 9.63449 11.3191 8.64367 numMergedOcc 0
54 mol 85 unq 24 iso 0 dist 8.66427 6.24598 7.52869 9.61831 4.05415 6.66973 6.77316 7.91193 8.06224 10.7591 numMergedOcc 0
55 mol 85 unq 25 iso 0 dist 8.66427 6.24598 7.52869 11.3963 9.97944 13.5088 11.9441 9.09711 11.6463 17.9023 numMergedOcc 0
56 mol 85 unq 26 iso 0 dist 8.66427 6.24598 7.52869 11.3963 9.97944 13.5088 13.8217 7.04244 9.46256 16.1804 numMergedOcc 0
57 mol 85 unq 27 iso 0 dist 8.66427 6.24598 7.52869 11.3963 9.97944 13.5088 5.26904 7.07839 4.86391 14.2664 numMergedOcc 0
58 mol 85 unq 28 iso 0 dist 8.66427 6.24598 7.52869 11.3963 9.97944 13.5088 9.54731 9.63449 11.3191 3.21259 numMergedOcc 0
59 mol 85 unq 29 iso 0 dist 8.66427 6.24598 7.52869 11.3963 9.97944 13.5088 6.77316 7.91193 8.06224 15.1209 numMergedOcc 0
60 mol 85 unq 30 iso 0 dist 8.66427 12.0327 9.18945 12.4236 5.37869 6.17924 11.9441 9.09711 13.1591 11.8779 numMergedOcc 0
61 mol 85 unq 31 iso 0 dist 8.66427 12.0327 9.18945 12.4236 5.37869 6.17924 13.8217 7.04244 6.34431 3.65186 numMergedOcc 0
62 mol 85 unq 32 iso 0 dist 8.66427 12.0327 9.18945 12.4236 5.37869 6.17924 5.26904 7.07839 9.18879 10.0372 numMergedOcc 0
63 mol 85 unq 33 iso 0 dist 8.66427 12.0327 9.18945 12.4236 5.37869 6.17924 9.54731 9.63449 14.7195 12.2971 numMergedOcc 0
64 mol 85 unq 34 iso 0 dist 8.66427 12.0327 9.18945 12.4236 5.37869 6.17924 6.77316 7.91193 11.8663 11.7094 numMergedOcc 0
65 mol 85 unq 35 iso 0 dist 8.66427 12.0327 9.18945 9.61831 4.05415 7.15173 11.9441 9.09711 13.1591 12.4835 numMergedOcc 0
66 mol 85 unq 36 iso 0 dist 8.66427 12.0327 9.18945 9.61831 4.05415 7.15173 13.8217 7.04244 6.34431 7.00044 numMergedOcc 0
67 mol 85 unq 37 iso 0 dist 8.66427 12.0327 9.18945 9.61831 4.05415 7.15173 5.26904 7.07839 9.18879 8.78995 numMergedOcc 0
68 mol 85 unq 38 iso 0 dist 8.66427 12.0327 9.18945 9.61831 4.05415 7.15173 9.54731 9.63449 14.7195 8.64367 numMergedOcc 0
69 mol 85 unq 39 iso 0 dist 8.66427 12.0327 9.18945 9.61831 4.05415 7.15173 6.77316 7.91193 11.8663 10.7591 numMergedOcc 0
70 mol 85 unq 40 iso 0 dist 8.66427 12.0327 9.18945 11.3963 9.97944 16.574 11.9441 9.09711 13.1591 17.9023 numMergedOcc 0
71 mol 85 unq 41 iso 0 dist 8.66427 12.0327 9.18945 11.3963 9.97944 16.574 13.8217 7.04244 6.34431 16.1804 numMergedOcc 0
72 mol 85 unq 42 iso 0 dist 8.66427 12.0327 9.18945 11.3963 9.97944 16.574 5.26904 7.07839 9.18879 14.2664 numMergedOcc 0
73 mol 85 unq 43 iso 0 dist 8.66427 12.0327 9.18945 11.3963 9.97944 16.574 9.54731 9.63449 14.7195 3.21259 numMergedOcc 0
74 mol 85 unq 44 iso 0 dist 8.66427 12.0327 9.18945 11.3963 9.97944 16.574 6.77316 7.91193 11.8663 15.1209 numMergedOcc 0
75 mol 85 unq 45 iso 0 dist 7.51319 12.8729 5.61151 8.08787 4.29937 7.2898 6.90443 6.67137 10.803 3.65186 numMergedOcc 0
76 mol 85 unq 46 iso 0 dist 7.51319 12.8729 5.61151 8.08787 4.29937 7.2898 17.0873 9.78707 5.49707 12.2971 numMergedOcc 0
77 mol 85 unq 47 iso 0 dist 7.51319 12.8729 5.61151 10.4844 3.65628 4.13305 6.90443 6.67137 10.803 7.00044 numMergedOcc 0
78 mol 85 unq 48 iso 0 dist 7.51319 12.8729 5.61151 10.4844 3.65628 4.13305 17.0873 9.78707 5.49707 8.64367 numMergedOcc 0
79 mol 85 unq 49 iso 0 dist 7.51319 12.8729 5.61151 16.4231 9.77774 6.42723 6.90443 6.67137 10.803 16.1804 numMergedOcc 0
80 mol 85 unq 50 iso 0 dist 7.51319 12.8729 5.61151 16.4231 9.77774 6.42723 17.0873 9.78707 5.49707 3.21259 numMergedOcc 0
81 mol 85 unq 51 iso 0 dist 8.49887 12.8729 6.54289 8.08787 5.37869 7.2898 10.1386 9.09711 15.6048 11.8779 numMergedOcc 0
82 mol 85 unq 52 iso 0 dist 8.49887 12.8729 6.54289 8.08787 5.37869 7.2898 6.90443 7.04244 10.803 3.65186 numMergedOcc 0
83 mol 85 unq 53 iso 0 dist 8.49887 12.8729 6.54289 8.08787 5.37869 7.2898 13.5026 7.07839 11.6623 10.0372 numMergedOcc 0
84 mol 85 unq 54 iso 0 dist 8.49887 12.8729 6.54289 8.08787 5.37869 7.2898 13.1772 7.91193 13.4097 11.7094 numMergedOcc 0
85 mol 85 unq 55 iso 0 dist 8.49887 12.8729 6.54289 8.08787 5.37869 7.2898 17.0873 9.63449 5.49707 12.2971 numMergedOcc 0
86 mol 85 unq 56 iso 0 dist 8.49887 12.8729 6.54289 10.4844 4.05415 4.13305 10.1386 9.09711 15.6048 12.4835 numMergedOcc 0
87 mol 85 unq 57 iso 0 dist 8.49887 12.8729 6.54289 10.4844 4.05415 4.13305 6.90443 7.04244 10.803 7.00044 numMergedOcc 0
88 mol 85 unq 58 iso 0 dist 8.49887 12.8729 6.54289 10.4844 4.05415 4.13305 13.5026 7.07839 11.6623 8.78995 numMergedOcc 0
89 mol 85 unq 59 iso 0 dist 8.49887 12.8729 6.54289 10.4844 4.05415 4.13305 13.1772 7.91193 13.4097 10.7591 numMergedOcc 0
90 mol 85 unq 60 iso 0 dist 8.49887 12.8729 6.54289 10.4844 4.05415 4.13305 17.0873 9.63449 5.49707 8.64367 numMergedOcc 0
91 mol 85 unq 61 iso 0 dist 8.49887 12.8729 6.54289 16.4231 9.97944 6.42723 10.1386 9.09711 15.6048 17.9023 numMergedOcc 0
92 mol 85 unq 62 iso 0 dist 8.49887 12.8729 6.54289 16.4231 9.97944 6.42723 6.90443 7.04244 10.803 16.1804 numMergedOcc 0
93 mol 85 unq 63 iso 0 dist 8.49887 12.8729 6.54289 16.4231 9.97944 6.42723 13.1772 7.91193 13.4097 15.1209 numMergedOcc 0
94 mol 85 unq 64 iso 0 dist 8.49887 12.8729 6.54289 16.4231 9.97944 6.42723 13.5026 7.07839 11.6623 14.2664 numMergedOcc 0
95 mol 85 unq 65 iso 0 dist 8.49887 12.8729 6.54289 16.4231 9.97944 6.42723 17.0873 9.63449 5.49707 3.21259 numMergedOcc 0
96 mol 85 unq 66 iso 0 dist 8.49887 14.5743 7.52869 8.08787 5.37869 8.37735 10.1386 9.09711 11.6463 11.8779 numMergedOcc 0
97 mol 85 unq 67 iso 0 dist 8.49887 14.5743 7.52869 8.08787 5.37869 8.37735 6.90443 7.04244 9.46256 3.65186 numMergedOcc 0
98 mol 85 unq 68 iso 0 dist 8.49887 14.5743 7.52869 8.08787 5.37869 8.37735 13.5026 7.07839 4.86391 10.0372 numMergedOcc 0
99 mol 85 unq 69 iso 0 dist 8.49887 14.5743 7.52869 8.08787 5.37869 8.37735 17.0873 9.63449 11.3191 12.2971 numMergedOcc 0
100 mol 85 unq 70 iso 0 dist 8.49887 14.5743 7.52869 8.08787 5.37869 8.37735 13.1772 7.91193 8.06224 11.7094 numMergedOcc 0
101 mol 85 unq 71 iso 0 dist 8.49887 14.5743 7.52869 10.4844 4.05415 6.66973 10.1386 9.09711 11.6463 12.4835 numMergedOcc 0
102 mol 85 unq 72 iso 0 dist 8.49887 14.5743 7.52869 10.4844 4.05415 6.66973 6.90443 7.04244 9.46256 7.00044 numMergedOcc 0
103 mol 85 unq 73 iso 0 dist 8.49887 14.5743 7.52869 10.4844 4.05415 6.66973 13.5026 7.07839 4.86391 8.78995 numMergedOcc 0
104 mol 85 unq 74 iso 0 dist 8.49887 14.5743 7.52869 10.4844 4.05415 6.66973 17.0873 9.63449 11.3191 8.64367 numMergedOcc 0
105 mol 85 unq 75 iso 0 dist 8.49887 14.5743 7.52869 10.4844 4.05415 6.66973 13.1772 7.91193 8.06224 10.7591 numMergedOcc 0
106 mol 85 unq 76 iso 0 dist 8.49887 14.5743 7.52869 16.4231 9.97944 13.5088 10.1386 9.09711 11.6463 17.9023 numMergedOcc 0
107 mol 85 unq 77 iso 0 dist 8.49887 14.5743 7.52869 16.4231 9.97944 13.5088 6.90443 7.04244 9.46256 16.1804 numMergedOcc 0
108 mol 85 unq 78 iso 0 dist 8.49887 14.5743 7.52869 16.4231 9.97944 13.5088 13.5026 7.07839 4.86391 14.2664 numMergedOcc 0
109 mol 85 unq 79 iso 0 dist 8.49887 14.5743 7.52869 16.4231 9.97944 13.5088 17.0873 9.63449 11.3191 3.21259 numMergedOcc 0
110 mol 85 unq 80 iso 0 dist 8.49887 14.5743 7.52869 16.4231 9.97944 13.5088 13.1772 7.91193 8.06224 15.1209 numMergedOcc 0
111 mol 85 unq 81 iso 0 dist 8.49887 13.0766 9.18945 8.08787 5.37869 6.17924 10.1386 9.09711 13.1591 11.8779 numMergedOcc 0
112 mol 85 unq 82 iso 0 dist 8.49887 13.0766 9.18945 8.08787 5.37869 6.17924 6.90443 7.04244 6.34431 3.65186 numMergedOcc 0
113 mol 85 unq 83 iso 0 dist 8.49887 13.0766 9.18945 8.08787 5.37869 6.17924 13.5026 7.07839 9.18879 10.0372 numMergedOcc 0
114 mol 85 unq 84 iso 0 dist 8.49887 13.0766 9.18945 8.08787 5.37869 6.17924 17.0873 9.63449 14.7195 12.2971 numMergedOcc 0
115 mol 85 unq 85 iso 0 dist 8.49887 13.0766 9.18945 8.08787 5.37869 6.17924 13.1772 7.91193 11.8663 11.7094 numMergedOcc 0
116 mol 85 unq 86 iso 0 dist 8.49887 13.0766 9.18945 10.4844 4.05415 7.15173 10.1386 9.09711 13.1591 12.4835 numMergedOcc 0
117 mol 85 unq 87 iso 0 dist 8.49887 13.0766 9.18945 10.4844 4.05415 7.15173 6.90443 7.04244 6.34431 7.00044 numMergedOcc 0
118 mol 85 unq 88 iso 0 dist 8.49887 13.0766 9.18945 10.4844 4.05415 7.15173 13.5026 7.07839 9.18879 8.78995 numMergedOcc 0
119 mol 85 unq 89 iso 0 dist 8.49887 13.0766 9.18945 10.4844 4.05415 7.15173 17.0873 9.63449 14.7195 8.64367 numMergedOcc 0
120 mol 85 unq 90 iso 0 dist 8.49887 13.0766 9.18945 10.4844 4.05415 7.15173 13.1772 7.91193 11.8663 10.7591 numMergedOcc 0
121 mol 85 unq 91 iso 0 dist 8.49887 13.0766 9.18945 16.4231 9.97944 16.574 10.1386 9.09711 13.1591 17.9023 numMergedOcc 0
122 mol 85 unq 92 iso 0 dist 8.49887 13.0766 9.18945 16.4231 9.97944 16.574 6.90443 7.04244 6.34431 16.1804 numMergedOcc 0
123 mol 85 unq 93 iso 0 dist 8.49887 13.0766 9.18945 16.4231 9.97944 16.574 13.5026 7.07839 9.18879 14.2664 numMergedOcc 0
124 mol 85 unq 94 iso 0 dist 8.49887 13.0766 9.18945 16.4231 9.97944 16.574 17.0873 9.63449 14.7195 3.21259 numMergedOcc 0
125 mol 85 unq 95 iso 0 dist 8.49887 13.0766 9.18945 16.4231 9.97944 16.574 13.1772 7.91193 11.8663 15.1209 numMergedOcc 0
126 mol 85 unq 96 iso 0 dist 9.43839 3.97167 5.61151 11.053 4.29937 7.2898 14.6513 6.67137 10.803 3.65186 numMergedOcc 0
127 mol 85 unq 97 iso 0 dist 9.43839 3.97167 5.61151 11.053 4.29937 7.2898 4.43737 9.78707 5.49707 12.2971 numMergedOcc 0
128 mol 85 unq 98 iso 0 dist 9.43839 3.97167 5.61151 7.97629 3.65628 4.13305 14.6513 6.67137 10.803 7.00044 numMergedOcc 0
129 mol 85 unq 99 iso 0 dist 9.43839 3.97167 5.61151 7.97629 3.65628 4.13305 4.43737 9.78707 5.49707 8.64367 numMergedOcc 0
130 mol 85 unq 100 iso 0 dist 9.43839 3.97167 5.61151 5.46713 9.77774 6.42723 14.6513 6.67137 10.803 16.1804 numMergedOcc 0
131 mol 85 unq 101 iso 0 dist 9.43839 3.97167 5.61151 5.46713 9.77774 6.42723 4.43737 9.78707 5.49707 3.21259 numMergedOcc 0
132 mol 204 unq 0 iso 0 dist 8.77524 5.64245 4.51124 5.9943 7.33774 4.08137 10.6524 8.32259 6.68247 4.7839 numMergedOcc 0
133 mol 204 unq 1 iso 0 dist 8.77524 5.64245 4.51124 5.9943 7.33774 4.08137 9.88337 9.93489 7.51762 4.05102 numMergedOcc 0
134 mol 254 unq 0 iso 0 dist 9.84028 6.69832 6.59989 8.2786 5.6417 5.91806 11.4342 7.85841 4.84855 8.8967 numMergedOcc 0
135 mol 254 unq 1 iso 0 dist 9.84028 6.69832 6.59989 8.2786 5.6417 5.91806 11.2466 9.20109 5.67608 10.929 numMergedOcc 0
136 mol 254 unq 2 iso 0 dist 9.84028 6.69832 6.59989 5.20737 7.42831 5.04088 11.4342 7.85841 4.84855 9.42679 numMergedOcc 0
137 mol 254 unq 3 iso 0 dist 9.84028 6.69832 6.59989 5.20737 7.42831 5.04088 11.2466 9.20109 5.67608 10.706 numMergedOcc 0
138 mol 260 unq 0 iso 0 dist 6.90472 8.32254 8.8385 4.35925 9.73217 12.2431 11.9315 8.62655 11.4575 15.6308 numMergedOcc 0
139 mol 260 unq 1 iso 0 dist 6.90472 8.32254 8.8385 13.8859 7.49606 12.1038 11.9315 8.62655 11.4575 7.35802 numMergedOcc 0
140 mol 260 unq 2 iso 0 dist 6.90472 8.32254 8.8385 13.5662 8.06377 9.42988 11.9315 8.62655 11.4575 10.4054 numMergedOcc 0
141 mol 266 unq 0 iso 0 dist 6.48382 12.9391 9.6721 7.90149 8.20376 17.5987 5.79323 6.96692 16.2268 3.68488 numMergedOcc 0
142 mol 266 unq 1 iso 0 dist 6.48382 12.9391 9.6721 7.90149 8.20376 17.5987 7.52317 8.25286 16.7453 3.14784 numMergedOcc 0
143 mol 266 unq 2 iso 0 dist 6.48382 12.9391 9.6721 7.90149 8.20376 17.5987 9.52953 9.9965 17.4207 5.95721 numMergedOcc 0
144 mol 285 unq 0 iso 0 dist 4.95596 8.9423 6.01404 5.62841 4.27826 4.3249 4.57431 5.88958 6.01515 3.14843 numMergedOcc 0
