0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 9.04027 7.03689 9.77707 6.66589 7.86036 6.56189 6.22773 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 4.88114 9.04027 7.03689 6.12485 9.84838 9.77707 6.66589 7.86036 6.22773 6.56189 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 7.34681 9.4204 11.0023 6.53817 11.7814 10.1064 13.5023 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 9.26685 7.34681 9.4204 9.5937 5.4483 11.0023 6.53817 11.7814 13.5023 10.1064 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.26685 9.5937 5.4483 7.34681 9.4204 11.0023 9.81769 14.8418 11.3627 15.703 numMergedOcc 0
5 mol 17 unq 1 iso 1 dist 9.26685 7.34681 9.4204 9.5937 5.4483 11.0023 9.81769 14.8418 15.703 11.3627 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.63748 7.43534 10.445 5.26938 5.39287 5.30415 5.507 numMergedOcc 0
7 mol 87 unq 0 iso 1 dist 9.10245 5.63748 7.43534 9.90256 5.83874 10.445 5.26938 5.39287 5.507 5.30415 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 9.10245 9.90256 5.83874 5.63748 7.43534 10.445 8.91602 11.6194 11.2095 7.26523 numMergedOcc 0
9 mol 87 unq 1 iso 1 dist 9.10245 5.63748 7.43534 9.90256 5.83874 10.445 8.91602 11.6194 7.26523 11.2095 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 6.86212 8.83633 9.76045 8.55431 8.50143 12.3309 5.10423 numMergedOcc 0
11 mol 159 unq 0 iso 1 dist 7.60912 6.86212 8.83633 9.54337 6.50839 9.76045 8.55431 8.50143 5.10423 12.3309 numMergedOcc 0
12 mol 159 unq 1 iso 0 dist 7.60912 9.54337 6.50839 9.9368 13.4546 14.3749 8.55431 8.50143 12.3309 7.18851 numMergedOcc 0
13 mol 159 unq 1 iso 1 dist 7.60912 9.9368 13.4546 9.54337 6.50839 14.3749 8.55431 8.50143 7.18851 12.3309 numMergedOcc 0
14 mol 159 unq 1 iso 0 dist 7.60912 6.86212 8.83633 9.9368 13.4546 4.82545 8.55431 8.50143 5.10423 7.18851 numMergedOcc 0
15 mol 159 unq 1 iso 1 dist 7.60912 9.9368 13.4546 6.86212 8.83633 4.82545 8.55431 8.50143 7.18851 5.10423 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 9.40718 5.15002 12.0946 9.63295 5.16386 9.40823 5.32364 numMergedOcc 0
17 mol 181 unq 0 iso 1 dist 6.47689 9.40718 5.15002 8.92801 7.11585 12.0946 9.63295 5.16386 5.32364 9.40823 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 8.72949 8.01622 10.4327 6.99623 6.3719 5.25279 5.80721 numMergedOcc 0
19 mol 186 unq 0 iso 1 dist 7.02662 8.72949 8.01622 6.72718 6.12748 10.4327 6.99623 6.3719 5.80721 5.25279 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.57174 14.3078 15.5559 8.9077 4.90657 13.6952 13.8822 numMergedOcc 0
21 mol 220 unq 0 iso 1 dist 7.86207 8.57174 14.3078 9.89039 9.09963 15.5559 8.9077 4.90657 13.8822 13.6952 numMergedOcc 0
22 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 8.87456 8.36102 4.71901 9.94212 18.385 15.9255 17.7343 numMergedOcc 0
23 mol 223 unq 0 iso 1 dist 9.29204 8.87456 8.36102 6.97426 4.73988 4.71901 9.94212 18.385 17.7343 15.9255 numMergedOcc 0
24 mol 223 unq 1 iso 0 dist 9.29204 6.97426 4.73988 8.87456 8.36102 4.71901 7.34316 8.16187 8.64175 12.9895 numMergedOcc 0
25 mol 223 unq 1 iso 1 dist 9.29204 8.87456 8.36102 6.97426 4.73988 4.71901 7.34316 8.16187 12.9895 8.64175 numMergedOcc 0
26 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 8.87456 5.43913 4.71901 9.94212 19.0281 15.9255 17.7343 numMergedOcc 0
27 mol 223 unq 2 iso 1 dist 9.14789 8.87456 5.43913 6.97426 4.78255 4.71901 9.94212 19.0281 17.7343 15.9255 numMergedOcc 0
28 mol 223 unq 3 iso 0 dist 9.14789 6.97426 4.78255 8.87456 5.43913 4.71901 7.34316 11.2364 8.64175 12.9895 numMergedOcc 0
29 mol 223 unq 3 iso 1 dist 9.14789 8.87456 5.43913 6.97426 4.78255 4.71901 7.34316 11.2364 12.9895 8.64175 numMergedOcc 0
30 mol 223 unq 4 iso 0 dist 7.80764 6.97426 12.6805 8.87456 13.9763 4.71901 9.94212 4.67731 15.9255 17.7343 numMergedOcc 0
31 mol 223 unq 4 iso 1 dist 7.80764 8.87456 13.9763 6.97426 12.6805 4.71901 9.94212 4.67731 17.7343 15.9255 numMergedOcc 0
32 mol 223 unq 5 iso 0 dist 7.80764 6.97426 12.6805 8.87456 13.9763 4.71901 7.34316 11.4951 8.64175 12.9895 numMergedOcc 0
33 mol 223 unq 5 iso 1 dist 7.80764 8.87456 13.9763 6.97426 12.6805 4.71901 7.34316 11.4951 12.9895 8.64175 numMergedOcc 0
34 mol 223 unq 6 iso 0 dist 5.75896 6.97426 10.6184 8.87456 13.8469 4.71901 9.94212 7.19485 15.9255 17.7343 numMergedOcc 0
35 mol 223 unq 6 iso 1 dist 5.75896 8.87456 13.8469 6.97426 10.6184 4.71901 9.94212 7.19485 17.7343 15.9255 numMergedOcc 0
36 mol 223 unq 7 iso 0 dist 5.75896 6.97426 10.6184 8.87456 13.8469 4.71901 7.34316 5.18719 8.64175 12.9895 numMergedOcc 0
37 mol 223 unq 7 iso 1 dist 5.75896 8.87456 13.8469 6.97426 10.6184 4.71901 7.34316 5.18719 12.9895 8.64175 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 7.25618 11.0025 5.31174 9.67877 5.09738 13.3533 15.0574 numMergedOcc 0
39 mol 258 unq 0 iso 1 dist 6.08181 7.25618 11.0025 8.10903 10.8957 5.31174 9.67877 5.09738 15.0574 13.3533 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 7.25618 11.0025 5.31174 8.81059 13.8694 5.90131 4.51422 numMergedOcc 0
41 mol 258 unq 1 iso 1 dist 6.08181 7.25618 11.0025 8.10903 10.8957 5.31174 8.81059 13.8694 4.51422 5.90131 numMergedOcc 0
42 mol 258 unq 2 iso 0 dist 6.08181 8.10903 10.8957 7.25618 11.0025 5.31174 9.12006 14.0402 9.68064 4.99997 numMergedOcc 0
43 mol 258 unq 2 iso 1 dist 6.08181 7.25618 11.0025 8.10903 10.8957 5.31174 9.12006 14.0402 4.99997 9.68064 numMergedOcc 0
44 mol 258 unq 3 iso 0 dist 7.70189 8.10903 5.27718 7.25618 9.46467 5.31174 9.67877 10.4667 13.3533 15.0574 numMergedOcc 0
45 mol 258 unq 3 iso 1 dist 7.70189 7.25618 9.46467 8.10903 5.27718 5.31174 9.67877 10.4667 15.0574 13.3533 numMergedOcc 0
46 mol 258 unq 4 iso 0 dist 7.70189 8.10903 5.27718 7.25618 9.46467 5.31174 8.81059 9.22664 5.90131 4.51422 numMergedOcc 0
47 mol 258 unq 4 iso 1 dist 7.70189 7.25618 9.46467 8.10903 5.27718 5.31174 8.81059 9.22664 4.51422 5.90131 numMergedOcc 0
48 mol 258 unq 5 iso 0 dist 7.70189 8.10903 5.27718 7.25618 9.46467 5.31174 9.12006 13.0489 9.68064 4.99997 numMergedOcc 0
49 mol 258 unq 5 iso 1 dist 7.70189 7.25618 9.46467 8.10903 5.27718 5.31174 9.12006 13.0489 4.99997 9.68064 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 9.72159 4.97878 10.4196 7.6414 11.544 4.25662 12.864 numMergedOcc 0
51 mol 261 unq 0 iso 1 dist 9.70222 9.72159 4.97878 4.85199 10.6318 10.4196 7.6414 11.544 12.864 4.25662 numMergedOcc 0
