0 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 5.01321 10.2713 8.96967 10.4158 5.17568 5.51916 9.78051 9.03536 9.97507 7.12903 5.55659 6.82505 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 6.82505 9.78051 5.55659 5.51916 7.12903 8.96967 10.4158 9.03536 5.01321 8.21493 5.17568 9.97507 10.2713 5.90976 8.38064 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 9.01651 12.1257 8.59109 11.2563 8.81358 5.67689 9.20119 5.24762 7.2846 6.34173 6.89191 7.58835 numMergedOcc 0
3 mol 45 unq 0 iso 1 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 11.2563 5.24762 9.01651 7.06308 8.81358 7.2846 12.1257 4.71384 6.43774 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 13.4544 15.6564 14.7581 7.58407 10.6169 15.2973 13.7148 5.11205 6.64012 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.64012 7.58407 5.11205 14.7581 13.7148 8.80108 13.4544 10.6169 6.75888 8.26899 15.6564 15.2973 10.335 5.98837 6.81627 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 9.55426 9.7274 10.3782 6.31428 10.6169 15.2973 13.7148 5.11205 9.4099 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 9.4099 6.31428 5.11205 10.3782 13.7148 8.80108 9.55426 10.6169 6.75888 8.26899 9.7274 15.2973 10.335 5.98837 6.81627 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 13.4544 11.0466 14.7581 7.58407 10.6169 11.396 13.7148 5.11205 6.64012 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 6.64012 7.58407 5.11205 14.7581 13.7148 8.80108 13.4544 10.6169 6.75888 8.26899 11.0466 11.396 6.40841 4.55117 7.32874 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 9.55426 5.90225 10.3782 6.31428 10.6169 11.396 13.7148 5.11205 9.4099 numMergedOcc 0
11 mol 58 unq 3 iso 1 dist 9.4099 6.31428 5.11205 10.3782 13.7148 8.80108 9.55426 10.6169 6.75888 8.26899 5.90225 11.396 6.40841 4.55117 7.32874 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 10.3224 10.8153 6.61756 6.46761 9.94737 13.497 10.9283 5.24906 6.64012 numMergedOcc 0
13 mol 58 unq 4 iso 1 dist 6.64012 6.46761 5.24906 6.61756 10.9283 7.01363 10.3224 9.94737 6.47744 9.58673 10.8153 13.497 8.63333 5.92889 6.86465 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 15.4557 14.5953 8.94672 9.73139 9.94737 13.497 10.9283 5.24906 9.4099 numMergedOcc 0
15 mol 58 unq 5 iso 1 dist 9.4099 9.73139 5.24906 8.94672 10.9283 7.01363 15.4557 9.94737 6.47744 9.58673 14.5953 13.497 8.63333 5.92889 6.86465 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 15.4557 14.5953 8.94672 9.73139 19.4068 20.7459 16.3779 13.1021 9.55426 numMergedOcc 0
17 mol 58 unq 6 iso 1 dist 9.55426 9.73139 13.1021 8.94672 16.3779 7.01363 15.4557 19.4068 6.47744 9.58673 14.5953 20.7459 8.63333 5.92889 6.86465 numMergedOcc 0
18 mol 58 unq 7 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 10.3224 13.1243 6.61756 6.46761 9.94737 15.4847 10.9283 5.24906 6.64012 numMergedOcc 0
19 mol 58 unq 7 iso 1 dist 6.64012 6.46761 5.24906 6.61756 10.9283 7.01363 10.3224 9.94737 6.47744 9.58673 13.1243 15.4847 11.5023 10.2241 6.62496 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 15.4557 18.3276 8.94672 9.73139 9.94737 15.4847 10.9283 5.24906 9.4099 numMergedOcc 0
21 mol 58 unq 8 iso 1 dist 9.4099 9.73139 5.24906 8.94672 10.9283 7.01363 15.4557 9.94737 6.47744 9.58673 18.3276 15.4847 11.5023 10.2241 6.62496 numMergedOcc 0
22 mol 58 unq 9 iso 0 dist 6.62496 9.58673 10.2241 6.47744 11.5023 7.01363 15.4557 18.3276 8.94672 9.73139 19.4068 24.4137 16.3779 13.1021 9.55426 numMergedOcc 0
23 mol 58 unq 9 iso 1 dist 9.55426 9.73139 13.1021 8.94672 16.3779 7.01363 15.4557 19.4068 6.47744 9.58673 18.3276 24.4137 11.5023 10.2241 6.62496 numMergedOcc 0
24 mol 58 unq 10 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 10.3224 8.62958 6.61756 6.46761 9.94737 12.1902 10.9283 5.24906 6.64012 numMergedOcc 0
25 mol 58 unq 10 iso 1 dist 6.64012 6.46761 5.24906 6.61756 10.9283 7.01363 10.3224 9.94737 6.47744 9.58673 8.62958 12.1902 8.89374 7.05413 6.35756 numMergedOcc 0
26 mol 58 unq 11 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 15.4557 14.176 8.94672 9.73139 9.94737 12.1902 10.9283 5.24906 9.4099 numMergedOcc 0
27 mol 58 unq 11 iso 1 dist 9.4099 9.73139 5.24906 8.94672 10.9283 7.01363 15.4557 9.94737 6.47744 9.58673 14.176 12.1902 8.89374 7.05413 6.35756 numMergedOcc 0
28 mol 58 unq 12 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 15.4557 14.176 8.94672 9.73139 19.4068 20.984 16.3779 13.1021 9.55426 numMergedOcc 0
29 mol 58 unq 12 iso 1 dist 9.55426 9.73139 13.1021 8.94672 16.3779 7.01363 15.4557 19.4068 6.47744 9.58673 14.176 20.984 8.89374 7.05413 6.35756 numMergedOcc 0
30 mol 58 unq 3 iso 0 dist 6.64012 7.58407 5.11205 14.7581 13.7148 8.80108 13.4544 10.6169 6.75888 8.26899 6.47414 9.4099 6.31428 10.3782 9.55426 numMergedOcc 0
31 mol 58 unq 3 iso 1 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 13.4544 6.47414 14.7581 7.58407 10.6169 9.4099 13.7148 5.11205 6.64012 numMergedOcc 0
32 mol 59 unq 0 iso 0 dist 6.85766 6.71911 7.29033 5.3525 10.6318 6.5096 7.71095 10.0246 5.33688 8.24062 12.5396 17.79 12.8699 11.0387 8.84665 numMergedOcc 0
33 mol 59 unq 0 iso 1 dist 8.84665 8.24062 11.0387 5.33688 12.8699 6.5096 7.71095 12.5396 5.3525 6.71911 10.0246 17.79 10.6318 7.29033 6.85766 numMergedOcc 0
34 mol 59 unq 1 iso 0 dist 6.85766 6.71911 7.29033 5.3525 10.6318 6.5096 7.71095 10.0246 5.33688 8.24062 8.19458 14.0127 11.6249 9.15805 8.25513 numMergedOcc 0
35 mol 59 unq 1 iso 1 dist 8.25513 8.24062 9.15805 5.33688 11.6249 6.5096 7.71095 8.19458 5.3525 6.71911 10.0246 14.0127 10.6318 7.29033 6.85766 numMergedOcc 0
36 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 9.0131 13.3133 9.19459 9.96708 10.7394 7.11552 7.321 8.24309 9.84449 11.9814 6.11922 9.78528 numMergedOcc 0
37 mol 72 unq 0 iso 1 dist 9.78528 7.321 6.11922 7.11552 11.9814 9.19459 9.96708 8.24309 9.0131 6.77912 10.7394 9.84449 13.3133 12.0644 8.8178 numMergedOcc 0
38 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 9.2907 11.641 7.36816 10.1937 8.94198 4.77056 8.68821 5.59517 10.1027 7.52743 5.33327 7.35754 numMergedOcc 0
39 mol 114 unq 0 iso 1 dist 7.35754 8.68821 5.33327 4.77056 7.52743 7.36816 10.1937 5.59517 9.2907 8.71128 8.94198 10.1027 11.641 5.80557 7.5732 numMergedOcc 0
40 mol 115 unq 0 iso 0 dist 5.83991 7.76729 10.9739 10.2377 12.2309 6.40036 9.33865 7.69052 10.7942 7.64585 8.02349 7.88312 12.9821 10.8939 6.11741 numMergedOcc 0
41 mol 115 unq 0 iso 1 dist 6.11741 7.64585 10.8939 10.7942 12.9821 6.40036 9.33865 8.02349 10.2377 7.76729 7.69052 7.88312 12.2309 10.9739 5.83991 numMergedOcc 0
42 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 7.46303 5.71071 6.3437 9.14392 7.66392 10.2463 12.2465 12.1814 6.43582 numMergedOcc 0
43 mol 155 unq 0 iso 1 dist 6.43582 9.14392 12.1814 6.3437 12.2465 6.51096 7.46303 7.66392 6.3845 9.17284 5.71071 10.2463 7.16254 4.9093 6.23493 numMergedOcc 0
44 mol 155 unq 1 iso 0 dist 6.23493 9.86313 5.86939 13.5062 12.1081 7.37901 10.2463 7.66392 6.34186 7.36102 5.71071 7.46303 7.51198 8.27726 6.43582 numMergedOcc 0
45 mol 155 unq 1 iso 1 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 10.2463 5.71071 13.5062 9.86313 7.66392 7.46303 12.1081 5.86939 6.23493 numMergedOcc 0
46 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 7.652 7.42466 5.0384 7.24908 6.2715 5.6234 12.816 10.5631 9.92231 numMergedOcc 0
47 mol 175 unq 0 iso 1 dist 9.92231 7.24908 10.5631 5.0384 12.816 4.79852 7.652 6.2715 8.22779 9.31887 7.42466 5.6234 9.8589 11.0415 9.0018 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 9.0018 7.42466 11.0415 9.8589 6.2715 9.92231 12.816 10.5631 5.6234 numMergedOcc 0
49 mol 175 unq 1 iso 1 dist 5.6234 9.8589 10.5631 11.0415 12.816 4.79852 9.0018 6.2715 8.22779 9.31887 7.42466 9.92231 7.24908 5.0384 7.652 numMergedOcc 0
50 mol 175 unq 2 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 9.0018 7.42466 11.0415 9.8589 8.16421 10.2623 11.3137 7.5414 6.57069 numMergedOcc 0
51 mol 175 unq 2 iso 1 dist 6.57069 9.8589 7.5414 11.0415 11.3137 4.79852 9.0018 8.16421 8.22779 9.31887 7.42466 10.2623 7.24908 5.0384 7.652 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 8.95269 6.87664 7.98696 5.29877 6.67585 9.47554 6.57273 4.70378 7.12232 6.65984 5.0744 9.99123 10.8259 6.12232 6.60589 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 6.60589 6.65984 6.12232 7.12232 10.8259 9.47554 6.57273 5.0744 5.29877 6.87664 4.70378 9.99123 6.67585 7.98696 8.95269 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 6.60589 6.65984 6.12232 7.12232 10.8259 9.47554 6.57273 5.0744 5.29877 6.87664 8.49799 9.16166 10.667 5.3621 5.78342 numMergedOcc 0
55 mol 224 unq 1 iso 1 dist 5.78342 6.87664 5.3621 5.29877 10.667 9.47554 6.57273 8.49799 7.12232 6.65984 5.0744 9.16166 10.8259 6.12232 6.60589 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 5.56749 15.004 8.49841 10.3625 19.022 5.9221 6.16063 16.814 26.0963 13.651 11.3297 8.41436 numMergedOcc 0
57 mol 234 unq 0 iso 1 dist 8.41436 6.16063 11.3297 5.9221 13.651 8.49841 10.3625 16.814 5.56749 9.5707 19.022 26.0963 15.004 15.9563 9.45496 numMergedOcc 0
58 mol 234 unq 1 iso 0 dist 9.45496 9.5707 15.9563 5.56749 15.004 8.49841 10.3625 19.022 5.9221 6.16063 14.1297 22.0184 10.521 10.2563 8.92474 numMergedOcc 0
59 mol 234 unq 1 iso 1 dist 8.92474 6.16063 10.2563 5.9221 10.521 8.49841 10.3625 14.1297 5.56749 9.5707 19.022 22.0184 15.004 15.9563 9.45496 numMergedOcc 0
60 mol 234 unq 2 iso 0 dist 6.7625 9.5707 14.4106 5.56749 10.8628 8.49841 10.3625 16.0265 5.9221 6.16063 16.814 21.2726 13.651 11.3297 8.41436 numMergedOcc 0
61 mol 234 unq 2 iso 1 dist 8.41436 6.16063 11.3297 5.9221 13.651 8.49841 10.3625 16.814 5.56749 9.5707 16.0265 21.2726 10.8628 14.4106 6.7625 numMergedOcc 0
62 mol 234 unq 3 iso 0 dist 6.7625 9.5707 14.4106 5.56749 10.8628 8.49841 10.3625 16.0265 5.9221 6.16063 14.1297 16.5742 10.521 10.2563 8.92474 numMergedOcc 0
63 mol 234 unq 3 iso 1 dist 8.92474 6.16063 10.2563 5.9221 10.521 8.49841 10.3625 14.1297 5.56749 9.5707 16.0265 16.5742 10.8628 14.4106 6.7625 numMergedOcc 0
