0 mol 15 unq 0 iso 0 dist 9.97507 8.38064 9.03536 5.17568 6.82505 10.4158 5.90976 7.12903 8.21493 5.51916 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.97507 6.82505 5.17568 9.03536 8.38064 10.4158 5.55659 10.2713 9.78051 5.01321 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.31718 5.05803 6.92781 10.8455 7.63133 12.5273 6.2983 5.47769 7.03948 5.94084 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.63133 5.46498 5.32694 10.8455 6.31718 10.9143 5.94084 5.47769 6.58035 6.2983 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 7.63133 5.46498 5.32694 10.8455 6.31718 10.9143 6.73355 13.0191 8.41862 16.9205 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 7.63133 8.71745 10.4155 10.8455 6.31718 16.4009 6.73355 13.0191 8.16785 16.9205 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 7.67038 4.54938 6.864 6.74265 9.58539 8.58657 5.5841 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 10.3915 7.82074 11.0366 6.74265 9.58539 8.58657 7.42082 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 10.9543 13.4721 8.78293 11.4401 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 6.55187 14.6255 8.23643 12.3093 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 5.14627 6.20943 7.82528 4.69858 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 8.4674 7.82074 10.3915 5.80928 4.51865 11.0366 6.55187 14.6255 8.73972 12.3093 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 4.54938 7.20519 7.34551 7.67038 8.4674 10.4091 5.5841 9.58539 9.80108 6.74265 numMergedOcc 0
13 mol 19 unq 7 iso 0 dist 4.54938 7.20519 7.34551 5.03957 7.82074 12.1187 5.5841 9.58539 9.80108 7.42082 numMergedOcc 0
14 mol 19 unq 8 iso 0 dist 4.54938 6.864 5.80928 7.67038 8.4674 4.51865 5.5841 9.58539 8.58657 6.74265 numMergedOcc 0
15 mol 19 unq 9 iso 0 dist 4.54938 6.864 5.80928 5.03957 7.82074 11.0366 5.5841 9.58539 8.58657 7.42082 numMergedOcc 0
16 mol 19 unq 10 iso 0 dist 4.54938 8.4674 7.67038 7.34551 7.20519 10.4091 5.14627 7.82528 6.20943 10.4988 numMergedOcc 0
17 mol 19 unq 11 iso 0 dist 4.54938 8.4674 7.67038 5.80928 6.864 4.51865 5.14627 7.82528 6.20943 4.69858 numMergedOcc 0
18 mol 19 unq 12 iso 0 dist 4.54938 7.82074 5.03957 7.34551 7.20519 12.1187 6.55187 8.23643 8.73972 11.0832 numMergedOcc 0
19 mol 19 unq 13 iso 0 dist 4.54938 7.82074 5.03957 5.80928 6.864 11.0366 6.55187 8.23643 8.73972 12.3093 numMergedOcc 0
20 mol 19 unq 14 iso 0 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 11.4401 13.4721 8.78293 10.9543 numMergedOcc 0
21 mol 19 unq 15 iso 0 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 12.3093 14.6255 8.23643 6.55187 numMergedOcc 0
22 mol 19 unq 16 iso 0 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 4.69858 6.20943 7.82528 5.14627 numMergedOcc 0
23 mol 19 unq 17 iso 0 dist 6.864 7.20519 7.07775 7.67038 4.51865 10.4091 5.5841 8.58657 9.80108 6.74265 numMergedOcc 0
24 mol 19 unq 18 iso 0 dist 6.864 4.51865 7.67038 7.07775 7.20519 10.4091 4.69858 7.82528 6.20943 10.4988 numMergedOcc 0
25 mol 19 unq 19 iso 0 dist 6.864 4.51865 7.67038 5.80928 4.54938 8.4674 4.69858 7.82528 6.20943 5.14627 numMergedOcc 0
26 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 6.44287 8.38394 12.5077 5.39241 12.4274 9.75144 7.84982 numMergedOcc 0
27 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 5.24762 6.43774 11.2563 6.89191 12.1257 9.20119 9.01651 numMergedOcc 0
28 mol 45 unq 1 iso 0 dist 7.2846 6.43774 5.24762 8.81358 7.58835 11.2563 4.71384 6.34173 7.06308 5.67689 numMergedOcc 0
29 mol 58 unq 0 iso 0 dist 9.4099 6.64012 6.47414 10.6169 9.55426 13.4544 5.24906 9.73139 6.46761 13.1021 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 9.4099 6.64012 6.47414 10.6169 9.55426 13.4544 5.11205 6.31428 7.58407 6.75888 numMergedOcc 0
31 mol 58 unq 2 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 10.3782 13.7148 8.26899 14.7581 numMergedOcc 0
32 mol 58 unq 3 iso 0 dist 9.55426 7.32874 5.90225 10.6169 9.4099 11.396 6.75888 6.31428 6.40841 5.11205 numMergedOcc 0
33 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 10.7394 8.8178 9.84449 11.6894 12.0903 9.02278 5.14048 numMergedOcc 0
34 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 15.7123 9.38498 10.2049 7.41074 8.70133 4.65521 13.4082 numMergedOcc 0
35 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 12.016 9.75218 11.6369 7.41074 8.70133 4.65521 15.9882 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 5.42586 6.19965 7.66905 7.98917 9.47876 7.22293 11.6116 numMergedOcc 0
37 mol 85 unq 1 iso 0 dist 7.47541 7.97049 6.9948 5.42586 7.66905 6.19965 7.98917 7.22293 9.47876 11.6116 numMergedOcc 0
38 mol 85 unq 2 iso 0 dist 7.47541 7.97049 6.9948 6.87425 5.73196 11.2656 7.98917 7.22293 9.47876 6.47779 numMergedOcc 0
39 mol 85 unq 3 iso 0 dist 6.19965 7.66905 6.9948 5.42586 7.97049 7.47541 11.6116 9.47876 7.22293 7.98917 numMergedOcc 0
40 mol 85 unq 4 iso 0 dist 7.66905 6.19965 6.9948 5.42586 7.47541 7.97049 11.6116 7.22293 9.47876 7.98917 numMergedOcc 0
41 mol 85 unq 5 iso 0 dist 7.66905 6.19965 6.9948 10.1164 5.73196 11.2656 11.6116 7.22293 9.47876 6.47779 numMergedOcc 0
42 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 11.5403 7.17106 10.5134 10.9608 6.58204 7.75343 5.01145 numMergedOcc 0
43 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 7.80879 9.35224 6.56369 10.9608 6.58204 7.75343 5.69137 numMergedOcc 0
44 mol 100 unq 2 iso 0 dist 9.35224 6.56369 5.88134 7.80879 9.60661 6.65086 5.69137 6.58204 7.75343 10.9608 numMergedOcc 0
45 mol 100 unq 3 iso 0 dist 9.35224 6.56369 5.88134 8.87654 7.17106 10.5134 5.69137 6.58204 7.75343 5.01145 numMergedOcc 0
46 mol 100 unq 4 iso 0 dist 6.65086 9.60661 5.88134 8.8807 7.47343 12.0662 10.9608 7.75343 6.58204 15.209 numMergedOcc 0
47 mol 100 unq 5 iso 0 dist 6.65086 9.60661 5.88134 7.80879 6.56369 9.35224 10.9608 7.75343 6.58204 5.69137 numMergedOcc 0
48 mol 100 unq 6 iso 0 dist 6.65086 9.60661 5.88134 5.38414 9.30209 10.5853 10.9608 7.75343 6.58204 9.21622 numMergedOcc 0
49 mol 100 unq 7 iso 0 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 10.1589 10.5193 8.72704 10.1499 numMergedOcc 0
50 mol 100 unq 8 iso 0 dist 6.56369 9.35224 5.88134 12.6515 7.47343 12.0662 5.69137 7.75343 6.58204 15.209 numMergedOcc 0
51 mol 100 unq 9 iso 0 dist 6.56369 9.35224 5.88134 7.80879 6.65086 9.60661 5.69137 7.75343 6.58204 10.9608 numMergedOcc 0
52 mol 100 unq 10 iso 0 dist 6.56369 9.35224 5.88134 6.39938 9.30209 10.5853 5.69137 7.75343 6.58204 9.21622 numMergedOcc 0
53 mol 100 unq 11 iso 0 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 10.1589 15.8984 8.72704 10.1499 numMergedOcc 0
54 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 7.69052 5.83991 7.88312 10.8292 13.9977 6.99777 11.7126 numMergedOcc 0
55 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 7.69052 5.83991 7.88312 6.12943 9.65429 9.14376 4.62962 numMergedOcc 0
56 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 8.02349 6.11741 7.88312 6.09023 9.66954 8.66155 4.61908 numMergedOcc 0
57 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 7.69052 9.33865 6.11741 11.7126 13.9977 6.99777 10.8292 numMergedOcc 0
58 mol 115 unq 4 iso 0 dist 5.83991 7.88312 8.02349 7.69052 9.33865 6.11741 4.62962 9.65429 9.14376 6.12943 numMergedOcc 0
59 mol 115 unq 5 iso 0 dist 5.83991 9.33865 7.69052 10.8507 7.30858 13.8473 6.09023 8.66155 9.66954 11.3902 numMergedOcc 0
60 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 10.8507 7.30858 13.8473 10.2377 12.2309 7.64585 19.2193 numMergedOcc 0
61 mol 115 unq 7 iso 0 dist 5.83991 9.33865 7.69052 8.02349 7.88312 6.11741 6.09023 8.66155 9.66954 4.61908 numMergedOcc 0
62 mol 115 unq 8 iso 0 dist 5.83991 9.33865 7.69052 8.02349 7.88312 6.11741 10.2377 12.2309 7.64585 10.8939 numMergedOcc 0
63 mol 115 unq 9 iso 0 dist 6.11741 9.33865 8.02349 7.69052 7.88312 5.83991 10.7942 12.9821 7.76729 10.9739 numMergedOcc 0
64 mol 115 unq 10 iso 0 dist 6.11741 7.88312 7.69052 8.02349 9.33865 5.83991 4.61908 9.66954 8.66155 6.09023 numMergedOcc 0
65 mol 115 unq 11 iso 0 dist 7.88312 5.83991 8.02349 7.69052 6.11741 9.33865 10.9739 12.9821 7.76729 10.7942 numMergedOcc 0
66 mol 115 unq 12 iso 0 dist 7.88312 6.11741 7.69052 11.5723 7.30858 13.8473 4.61908 8.66155 9.66954 11.3902 numMergedOcc 0
67 mol 115 unq 13 iso 0 dist 7.88312 6.11741 7.69052 11.5723 7.30858 13.8473 10.8939 12.2309 7.64585 19.2193 numMergedOcc 0
68 mol 115 unq 14 iso 0 dist 7.88312 6.11741 7.69052 8.02349 5.83991 9.33865 4.61908 8.66155 9.66954 6.09023 numMergedOcc 0
69 mol 115 unq 15 iso 0 dist 7.88312 6.11741 7.69052 8.02349 5.83991 9.33865 10.8939 12.2309 7.64585 10.2377 numMergedOcc 0
70 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 13.1058 9.84395 16.5575 4.91401 6.62561 7.63616 11.3679 numMergedOcc 0
71 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.81259 9.86662 9.71307 5.41704 8.79571 5.42582 6.17103 numMergedOcc 0
72 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.81259 9.86662 12.5075 5.41704 8.79571 8.6355 6.17103 numMergedOcc 0
73 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.81259 9.71307 9.86662 5.41704 5.42582 8.79571 6.17103 numMergedOcc 0
74 mol 134 unq 3 iso 0 dist 6.37586 6.49416 5.00817 6.81259 9.71307 12.5075 5.41704 5.42582 8.6355 6.17103 numMergedOcc 0
75 mol 134 unq 4 iso 0 dist 6.49416 8.94367 8.80819 5.00526 6.54501 11.9139 5.41704 8.6355 8.79571 10.1448 numMergedOcc 0
76 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 5.00526 6.54501 9.5126 5.41704 8.6355 5.42582 10.1448 numMergedOcc 0
77 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 6.81259 8.94367 6.37586 6.17103 8.79571 5.42582 5.41704 numMergedOcc 0
78 mol 134 unq 7 iso 0 dist 9.71307 9.86662 5.49782 6.81259 6.37586 8.94367 6.17103 5.42582 8.79571 5.41704 numMergedOcc 0
79 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 5.50998 7.73169 7.26382 9.49653 7.15475 9.07935 7.53854 numMergedOcc 0
80 mol 142 unq 1 iso 0 dist 9.2313 5.31024 5.32922 11.1395 8.96657 11.0824 9.49653 7.15475 9.07935 10.3477 numMergedOcc 0
81 mol 142 unq 2 iso 0 dist 5.31024 9.2313 5.32922 5.50998 7.26382 7.73169 9.49653 9.07935 7.15475 7.53854 numMergedOcc 0
82 mol 142 unq 3 iso 0 dist 7.73169 7.26382 5.32922 5.50998 9.2313 5.31024 7.53854 7.15475 9.07935 9.49653 numMergedOcc 0
83 mol 142 unq 4 iso 0 dist 7.73169 7.26382 5.32922 5.92693 8.96657 11.0824 7.53854 7.15475 9.07935 10.3477 numMergedOcc 0
84 mol 142 unq 5 iso 0 dist 7.26382 7.73169 5.32922 5.50998 5.31024 9.2313 7.53854 9.07935 7.15475 9.49653 numMergedOcc 0
85 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 5.49936 8.87437 7.16148 8.25411 12.4808 9.13561 7.89109 numMergedOcc 0
86 mol 152 unq 1 iso 0 dist 8.87437 7.16148 5.42328 5.49936 5.87555 6.70283 7.89109 12.4808 9.13561 8.25411 numMergedOcc 0
87 mol 152 unq 2 iso 0 dist 8.67331 6.70283 6.4896 5.49936 8.05741 7.16148 8.25411 14.1119 9.13561 7.89109 numMergedOcc 0
88 mol 152 unq 3 iso 0 dist 8.05741 7.16148 6.4896 5.49936 8.67331 6.70283 7.89109 14.1119 9.13561 8.25411 numMergedOcc 0
89 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 7.66392 6.43582 10.2463 6.3845 9.14392 7.16254 12.1814 numMergedOcc 0
90 mol 155 unq 1 iso 0 dist 7.46303 6.23493 5.71071 7.66392 6.43582 10.2463 5.86939 7.51198 9.86313 6.34186 numMergedOcc 0
91 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 5.71071 6.23493 10.2463 12.8482 15.9495 9.38946 18.174 numMergedOcc 0
92 mol 155 unq 3 iso 0 dist 7.46303 6.43582 7.66392 5.71071 6.23493 10.2463 8.27726 12.1081 7.36102 13.5062 numMergedOcc 0
93 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 10.1658 7.66148 12.0598 6.29785 13.1853 9.36805 15.7866 numMergedOcc 0
94 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 10.1658 7.66148 15.1382 6.29785 13.1853 7.55203 15.7866 numMergedOcc 0
95 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 7.42466 7.652 9.92231 5.28109 10.689 9.0664 7.14477 numMergedOcc 0
96 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 6.2715 5.6234 9.92231 8.22779 9.8589 7.24908 10.5631 numMergedOcc 0
97 mol 175 unq 2 iso 0 dist 9.0018 7.652 7.42466 8.16421 6.57069 10.2623 8.22779 9.8589 7.24908 7.5414 numMergedOcc 0
98 mol 175 unq 3 iso 0 dist 7.652 9.92231 6.2715 7.42466 9.0018 5.6234 7.14477 10.689 9.0664 5.28109 numMergedOcc 0
99 mol 175 unq 4 iso 0 dist 7.652 9.0018 7.42466 6.2715 9.92231 5.6234 8.22779 7.24908 9.8589 10.5631 numMergedOcc 0
100 mol 175 unq 5 iso 0 dist 5.6234 9.0018 6.2715 7.42466 9.92231 7.652 11.0415 12.816 9.31887 5.0384 numMergedOcc 0
101 mol 175 unq 6 iso 0 dist 5.6234 9.92231 7.42466 6.2715 9.0018 7.652 10.5631 9.8589 7.24908 8.22779 numMergedOcc 0
102 mol 175 unq 7 iso 0 dist 5.6234 9.92231 7.42466 5.35493 6.57069 10.2623 10.5631 9.8589 7.24908 7.5414 numMergedOcc 0
103 mol 175 unq 8 iso 0 dist 9.92231 7.652 6.2715 7.42466 5.6234 9.0018 5.0384 12.816 9.31887 11.0415 numMergedOcc 0
104 mol 175 unq 9 iso 0 dist 9.92231 5.6234 7.42466 6.2715 7.652 9.0018 10.5631 7.24908 9.8589 8.22779 numMergedOcc 0
105 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 13.2049 8.03334 10.7062 5.4601 10.2276 7.20046 10.7112 numMergedOcc 0
106 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 13.2049 8.03334 10.7062 10.0524 10.7636 7.13543 7.07409 numMergedOcc 0
107 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 13.2049 8.03334 14.9794 8.25067 13.2702 9.6668 19.5806 numMergedOcc 0
108 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 10.1912 9.09537 12.9862 8.25067 10.8351 9.6668 17.441 numMergedOcc 0
109 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 5.0744 6.60589 9.99123 9.36098 10.0414 7.06793 12.5195 numMergedOcc 0
110 mol 224 unq 1 iso 0 dist 6.57273 8.95269 4.70378 5.0744 6.60589 9.99123 5.29877 6.65984 6.67585 6.12232 numMergedOcc 0
111 mol 224 unq 2 iso 0 dist 6.60589 6.57273 5.0744 6.77699 6.65832 10.103 7.12232 10.8259 6.87664 12.6949 numMergedOcc 0
112 mol 224 unq 3 iso 0 dist 6.60589 6.57273 5.0744 8.49799 9.16166 5.78342 7.12232 10.8259 6.87664 5.3621 numMergedOcc 0
113 mol 224 unq 4 iso 0 dist 5.78342 8.95269 11.5372 5.0744 9.16166 9.99123 9.36098 12.7072 7.06793 12.5195 numMergedOcc 0
114 mol 224 unq 5 iso 0 dist 5.78342 8.95269 11.5372 5.0744 9.16166 9.99123 5.29877 10.667 6.67585 6.12232 numMergedOcc 0
115 mol 224 unq 6 iso 0 dist 5.78342 8.95269 11.5372 5.60236 5.81334 14.0676 9.36098 12.7072 7.06793 14.7761 numMergedOcc 0
116 mol 224 unq 7 iso 0 dist 5.78342 8.95269 11.5372 5.60236 5.81334 14.0676 5.29877 10.667 6.67585 10.449 numMergedOcc 0
117 mol 224 unq 8 iso 0 dist 5.78342 6.57273 8.49799 5.0744 9.16166 6.60589 5.29877 10.667 6.65984 6.12232 numMergedOcc 0
118 mol 224 unq 9 iso 0 dist 5.78342 6.57273 8.49799 5.60236 5.81334 10.5128 5.29877 10.667 6.65984 10.449 numMergedOcc 0
119 mol 224 unq 10 iso 0 dist 9.16166 6.60589 8.49799 5.0744 5.78342 6.57273 6.12232 10.667 6.65984 5.29877 numMergedOcc 0
120 mol 224 unq 11 iso 0 dist 9.16166 6.60589 8.49799 6.91102 5.81334 10.5128 6.12232 10.667 6.65984 10.449 numMergedOcc 0
121 mol 224 unq 12 iso 0 dist 9.16166 5.78342 5.0744 11.328 6.65832 10.103 5.3621 10.8259 6.87664 12.6949 numMergedOcc 0
122 mol 224 unq 13 iso 0 dist 9.16166 5.78342 5.0744 8.49799 6.60589 6.57273 5.3621 10.8259 6.87664 7.12232 numMergedOcc 0
123 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 4.39704 7.09863 10.8157 14.6185 13.4493 9.62609 17.2469 numMergedOcc 0
124 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 4.39704 7.09863 10.8157 6.43754 8.17891 6.95902 9.13836 numMergedOcc 0
125 mol 227 unq 2 iso 0 dist 7.22101 7.55216 12.4689 4.39704 7.09863 10.0334 11.662 15.9414 8.83563 10.614 numMergedOcc 0
126 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 6.29886 8.34494 12.9605 15.9563 10.3388 9.5707 15.6589 numMergedOcc 0
127 mol 234 unq 1 iso 0 dist 6.56247 9.45496 5.88703 6.29886 8.34494 12.9605 11.216 6.25105 7.85175 10.3337 numMergedOcc 0
128 mol 234 unq 2 iso 0 dist 6.56247 9.45496 5.88703 7.82322 9.36357 6.7625 15.9563 10.3388 9.5707 14.4106 numMergedOcc 0
129 mol 234 unq 3 iso 0 dist 6.56247 9.45496 5.88703 7.82322 9.36357 6.7625 11.216 6.25105 7.85175 11.4315 numMergedOcc 0
130 mol 234 unq 4 iso 0 dist 9.36357 6.7625 5.88703 12.1694 8.34494 12.9605 14.4106 10.3388 9.5707 15.6589 numMergedOcc 0
131 mol 234 unq 5 iso 0 dist 9.36357 6.7625 5.88703 12.1694 8.34494 12.9605 11.4315 6.25105 7.85175 10.3337 numMergedOcc 0
132 mol 234 unq 6 iso 0 dist 9.36357 6.7625 5.88703 7.82322 6.56247 9.45496 14.4106 10.3388 9.5707 15.9563 numMergedOcc 0
133 mol 234 unq 7 iso 0 dist 9.36357 6.7625 5.88703 7.82322 6.56247 9.45496 11.4315 6.25105 7.85175 11.216 numMergedOcc 0
134 mol 234 unq 8 iso 0 dist 9.45496 6.56247 5.88703 7.82322 6.7625 9.36357 11.216 7.85175 6.25105 11.4315 numMergedOcc 0
135 mol 234 unq 9 iso 0 dist 6.7625 9.36357 5.88703 7.82322 9.45496 6.56247 11.4315 7.85175 6.25105 11.216 numMergedOcc 0
136 mol 236 unq 0 iso 0 dist 8.03456 9.81562 7.28249 5.79505 6.84306 7.68742 11.8759 7.17676 5.34718 11.3552 numMergedOcc 0
137 mol 236 unq 1 iso 0 dist 8.03456 9.81562 7.28249 9.90963 9.99038 6.27581 11.8759 7.17676 5.34718 6.04825 numMergedOcc 0
138 mol 236 unq 2 iso 0 dist 8.03456 9.81562 7.28249 6.96005 9.78037 13.499 11.8759 7.17676 5.34718 12.6468 numMergedOcc 0
139 mol 236 unq 3 iso 0 dist 8.03456 9.81562 7.28249 14.2337 8.35971 11.2141 11.8759 7.17676 5.34718 6.40312 numMergedOcc 0
140 mol 236 unq 4 iso 0 dist 6.84306 7.68742 7.28249 5.79505 8.03456 9.81562 11.3552 7.17676 5.34718 11.8759 numMergedOcc 0
141 mol 236 unq 5 iso 0 dist 6.84306 7.68742 7.28249 11.3368 9.99038 6.27581 11.3552 7.17676 5.34718 6.04825 numMergedOcc 0
142 mol 236 unq 6 iso 0 dist 6.84306 7.68742 7.28249 11.8739 9.78037 13.499 11.3552 7.17676 5.34718 12.6468 numMergedOcc 0
143 mol 236 unq 7 iso 0 dist 6.84306 7.68742 7.28249 14.7998 8.35971 11.2141 11.3552 7.17676 5.34718 6.40312 numMergedOcc 0
144 mol 236 unq 8 iso 0 dist 9.99038 6.27581 7.28249 9.90963 8.03456 9.81562 6.04825 7.17676 5.34718 11.8759 numMergedOcc 0
145 mol 236 unq 9 iso 0 dist 9.99038 6.27581 7.28249 11.3368 6.84306 7.68742 6.04825 7.17676 5.34718 11.3552 numMergedOcc 0
146 mol 236 unq 10 iso 0 dist 9.99038 6.27581 7.28249 11.1557 9.78037 13.499 6.04825 7.17676 5.34718 12.6468 numMergedOcc 0
147 mol 236 unq 11 iso 0 dist 9.99038 6.27581 7.28249 10.7497 8.35971 11.2141 6.04825 7.17676 5.34718 6.40312 numMergedOcc 0
148 mol 236 unq 12 iso 0 dist 9.81562 8.03456 7.28249 5.79505 7.68742 6.84306 11.8759 5.34718 7.17676 11.3552 numMergedOcc 0
149 mol 236 unq 13 iso 0 dist 9.81562 8.03456 7.28249 5.79505 7.68742 6.84306 9.07822 10.5713 6.68463 11.6837 numMergedOcc 0
150 mol 236 unq 14 iso 0 dist 9.81562 8.03456 7.28249 9.90963 6.27581 9.99038 11.8759 5.34718 7.17676 6.04825 numMergedOcc 0
151 mol 236 unq 15 iso 0 dist 9.81562 8.03456 7.28249 9.90963 6.27581 9.99038 9.07822 10.5713 6.68463 8.8265 numMergedOcc 0
152 mol 236 unq 16 iso 0 dist 7.68742 6.84306 7.28249 5.79505 9.81562 8.03456 11.3552 5.34718 7.17676 11.8759 numMergedOcc 0
153 mol 236 unq 17 iso 0 dist 7.68742 6.84306 7.28249 5.79505 9.81562 8.03456 11.6837 10.5713 6.68463 9.07822 numMergedOcc 0
154 mol 236 unq 18 iso 0 dist 7.68742 6.84306 7.28249 11.3368 6.27581 9.99038 11.3552 5.34718 7.17676 6.04825 numMergedOcc 0
155 mol 236 unq 19 iso 0 dist 7.68742 6.84306 7.28249 11.3368 6.27581 9.99038 11.6837 10.5713 6.68463 8.8265 numMergedOcc 0
156 mol 236 unq 20 iso 0 dist 6.27581 9.99038 7.28249 9.90963 9.81562 8.03456 6.04825 5.34718 7.17676 11.8759 numMergedOcc 0
157 mol 236 unq 21 iso 0 dist 6.27581 9.99038 7.28249 9.90963 9.81562 8.03456 8.8265 10.5713 6.68463 9.07822 numMergedOcc 0
158 mol 236 unq 22 iso 0 dist 6.27581 9.99038 7.28249 11.3368 7.68742 6.84306 6.04825 5.34718 7.17676 11.3552 numMergedOcc 0
159 mol 236 unq 23 iso 0 dist 6.27581 9.99038 7.28249 11.3368 7.68742 6.84306 8.8265 10.5713 6.68463 11.6837 numMergedOcc 0
160 mol 252 unq 0 iso 0 dist 8.1715 8.1148 8.41807 6.0987 9.2288 8.33025 4.23801 10.165 7.66365 9.37715 numMergedOcc 0
161 mol 252 unq 1 iso 0 dist 9.2288 8.33025 8.41807 6.0987 8.1715 8.1148 9.37715 10.165 7.66365 4.23801 numMergedOcc 0
162 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 10.582 8.53687 10.5767 11.6195 10.9591 7.48005 17.9331 numMergedOcc 0
163 mol 272 unq 0 iso 0 dist 8.46116 8.33638 5.40809 8.12676 9.97651 13.2494 5.63139 9.09992 6.73206 10.841 numMergedOcc 0
