0 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 8.89145 5.7343 13.2274 6.92865 11.3728 8.33226 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.00925 8.68949 16.2669 6.92865 11.3728 8.33226 8.89145 5.7343 13.2274 8.02605 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 6.53817 11.7814 10.1064 9.81769 14.8418 11.3627 5.14154 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 9.26685 9.5937 5.4483 9.81769 14.8418 11.3627 6.53817 11.7814 10.1064 5.14154 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.26685 7.34681 9.4204 6.53817 11.7814 13.5023 9.81769 14.8418 15.703 5.14154 numMergedOcc 0
5 mol 17 unq 1 iso 1 dist 9.26685 7.34681 9.4204 9.81769 14.8418 15.703 6.53817 11.7814 13.5023 5.14154 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.3147 8.75001 10.2713 7.78708 9.38012 5.18509 7.84393 10.5285 12.48 8.01051 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 9.3147 8.75001 10.2713 7.84393 10.5285 12.48 7.78708 9.38012 5.18509 8.01051 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 9.79426 8.75001 12.053 7.78708 9.55318 5.18509 7.84393 9.84922 12.48 8.01051 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 9.79426 8.75001 12.053 7.84393 9.84922 12.48 7.78708 9.55318 5.18509 8.01051 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 9.3473 8.86433 12.8692 9.10915 9.82646 14.8927 7.02352 9.96083 6.15294 9.21892 numMergedOcc 0
11 mol 64 unq 0 iso 1 dist 9.3473 8.86433 12.8692 7.02352 9.96083 6.15294 9.10915 9.82646 14.8927 9.21892 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 8.36667 8.70964 11.5923 8.24121 14.9981 6.57301 8.52371 13.689 10.2661 10.149 numMergedOcc 0
13 mol 69 unq 0 iso 1 dist 8.36667 8.70964 11.5923 8.52371 13.689 10.2661 8.24121 14.9981 6.57301 10.149 numMergedOcc 0
14 mol 69 unq 1 iso 0 dist 8.36667 8.70964 11.5923 8.24121 14.9981 6.57301 6.8198 5.23597 8.09841 12.0119 numMergedOcc 0
15 mol 69 unq 1 iso 1 dist 8.36667 8.70964 11.5923 6.8198 5.23597 8.09841 8.24121 14.9981 6.57301 12.0119 numMergedOcc 0
16 mol 69 unq 1 iso 0 dist 8.36667 8.70964 11.5923 8.52371 13.689 10.2661 6.8198 5.23597 8.09841 9.16015 numMergedOcc 0
17 mol 69 unq 1 iso 1 dist 8.36667 8.70964 11.5923 6.8198 5.23597 8.09841 8.52371 13.689 10.2661 9.16015 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.26938 5.39287 5.30415 8.91602 11.6194 11.2095 7.40574 numMergedOcc 0
19 mol 87 unq 0 iso 1 dist 9.10245 9.90256 5.83874 8.91602 11.6194 11.2095 5.26938 5.39287 5.30415 7.40574 numMergedOcc 0
20 mol 87 unq 1 iso 0 dist 9.10245 5.63748 7.43534 5.26938 5.39287 5.507 8.91602 11.6194 7.26523 7.40574 numMergedOcc 0
21 mol 87 unq 1 iso 1 dist 9.10245 5.63748 7.43534 8.91602 11.6194 7.26523 5.26938 5.39287 5.507 7.40574 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 6.65963 5.38 4.98711 8.62711 6.75619 11.2447 7.30196 numMergedOcc 0
23 mol 127 unq 0 iso 1 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 6.65963 5.38 4.98711 7.30196 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.35148 6.39087 11.4142 7.30244 10.48 12.2765 7.29796 5.23846 13.2427 6.89336 numMergedOcc 0
25 mol 220 unq 0 iso 1 dist 7.35148 6.39087 11.4142 7.29796 5.23846 13.2427 7.30244 10.48 12.2765 6.89336 numMergedOcc 0
26 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 9.94212 18.385 15.9255 7.34316 8.16187 8.64175 12.3422 numMergedOcc 0
27 mol 223 unq 0 iso 1 dist 9.29204 6.97426 4.73988 7.34316 8.16187 8.64175 9.94212 18.385 15.9255 12.3422 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 9.94212 18.385 17.7343 7.34316 8.16187 12.9895 12.3422 numMergedOcc 0
29 mol 223 unq 1 iso 1 dist 9.29204 8.87456 8.36102 7.34316 8.16187 12.9895 9.94212 18.385 17.7343 12.3422 numMergedOcc 0
30 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 9.94212 19.0281 15.9255 7.34316 11.2364 8.64175 12.3422 numMergedOcc 0
31 mol 223 unq 2 iso 1 dist 9.14789 6.97426 4.78255 7.34316 11.2364 8.64175 9.94212 19.0281 15.9255 12.3422 numMergedOcc 0
32 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 9.94212 19.0281 17.7343 7.34316 11.2364 12.9895 12.3422 numMergedOcc 0
33 mol 223 unq 3 iso 1 dist 9.14789 8.87456 5.43913 7.34316 11.2364 12.9895 9.94212 19.0281 17.7343 12.3422 numMergedOcc 0
34 mol 223 unq 4 iso 0 dist 7.80764 6.97426 12.6805 9.94212 4.67731 15.9255 7.34316 11.4951 8.64175 12.3422 numMergedOcc 0
35 mol 223 unq 4 iso 1 dist 7.80764 6.97426 12.6805 7.34316 11.4951 8.64175 9.94212 4.67731 15.9255 12.3422 numMergedOcc 0
36 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 9.94212 4.67731 17.7343 7.34316 11.4951 12.9895 12.3422 numMergedOcc 0
37 mol 223 unq 5 iso 1 dist 7.80764 8.87456 13.9763 7.34316 11.4951 12.9895 9.94212 4.67731 17.7343 12.3422 numMergedOcc 0
38 mol 223 unq 6 iso 0 dist 5.75896 6.97426 10.6184 9.94212 7.19485 15.9255 7.34316 5.18719 8.64175 12.3422 numMergedOcc 0
39 mol 223 unq 6 iso 1 dist 5.75896 6.97426 10.6184 7.34316 5.18719 8.64175 9.94212 7.19485 15.9255 12.3422 numMergedOcc 0
40 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 9.94212 7.19485 17.7343 7.34316 5.18719 12.9895 12.3422 numMergedOcc 0
41 mol 223 unq 7 iso 1 dist 5.75896 8.87456 13.8469 7.34316 5.18719 12.9895 9.94212 7.19485 17.7343 12.3422 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.67877 5.09738 13.3533 8.81059 13.8694 5.90131 17.2075 numMergedOcc 0
43 mol 258 unq 0 iso 1 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 9.67877 5.09738 13.3533 17.2075 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 9.67877 5.09738 13.3533 9.12006 14.0402 9.68064 18.4031 numMergedOcc 0
45 mol 258 unq 1 iso 1 dist 6.08181 8.10903 10.8957 9.12006 14.0402 9.68064 9.67877 5.09738 13.3533 18.4031 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 9.12006 14.0402 9.68064 5.30627 numMergedOcc 0
47 mol 258 unq 1 iso 1 dist 6.08181 8.10903 10.8957 9.12006 14.0402 9.68064 8.81059 13.8694 5.90131 5.30627 numMergedOcc 0
48 mol 258 unq 2 iso 0 dist 6.08181 7.25618 11.0025 9.67877 5.09738 15.0574 8.81059 13.8694 4.51422 17.2075 numMergedOcc 0
49 mol 258 unq 2 iso 1 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 9.67877 5.09738 15.0574 17.2075 numMergedOcc 0
50 mol 258 unq 3 iso 0 dist 6.08181 7.25618 11.0025 9.67877 5.09738 15.0574 9.12006 14.0402 4.99997 18.4031 numMergedOcc 0
51 mol 258 unq 3 iso 1 dist 6.08181 7.25618 11.0025 9.12006 14.0402 4.99997 9.67877 5.09738 15.0574 18.4031 numMergedOcc 0
52 mol 258 unq 3 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 9.12006 14.0402 4.99997 5.30627 numMergedOcc 0
53 mol 258 unq 3 iso 1 dist 6.08181 7.25618 11.0025 9.12006 14.0402 4.99997 8.81059 13.8694 4.51422 5.30627 numMergedOcc 0
54 mol 258 unq 4 iso 0 dist 7.70189 8.10903 5.27718 9.67877 10.4667 13.3533 8.81059 9.22664 5.90131 17.2075 numMergedOcc 0
55 mol 258 unq 4 iso 1 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 9.67877 10.4667 13.3533 17.2075 numMergedOcc 0
56 mol 258 unq 5 iso 0 dist 7.70189 8.10903 5.27718 9.67877 10.4667 13.3533 9.12006 13.0489 9.68064 18.4031 numMergedOcc 0
57 mol 258 unq 5 iso 1 dist 7.70189 8.10903 5.27718 9.12006 13.0489 9.68064 9.67877 10.4667 13.3533 18.4031 numMergedOcc 0
58 mol 258 unq 5 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 9.12006 13.0489 9.68064 5.30627 numMergedOcc 0
59 mol 258 unq 5 iso 1 dist 7.70189 8.10903 5.27718 9.12006 13.0489 9.68064 8.81059 9.22664 5.90131 5.30627 numMergedOcc 0
60 mol 258 unq 6 iso 0 dist 7.70189 7.25618 9.46467 9.67877 10.4667 15.0574 8.81059 9.22664 4.51422 17.2075 numMergedOcc 0
61 mol 258 unq 6 iso 1 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 9.67877 10.4667 15.0574 17.2075 numMergedOcc 0
62 mol 258 unq 7 iso 0 dist 7.70189 7.25618 9.46467 9.67877 10.4667 15.0574 9.12006 13.0489 4.99997 18.4031 numMergedOcc 0
63 mol 258 unq 7 iso 1 dist 7.70189 7.25618 9.46467 9.12006 13.0489 4.99997 9.67877 10.4667 15.0574 18.4031 numMergedOcc 0
64 mol 258 unq 7 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 9.12006 13.0489 4.99997 5.30627 numMergedOcc 0
65 mol 258 unq 7 iso 1 dist 7.70189 7.25618 9.46467 9.12006 13.0489 4.99997 8.81059 9.22664 4.51422 5.30627 numMergedOcc 0
66 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 7.15785 4.50761 6.43209 9.43169 8.80293 7.78464 5.51688 numMergedOcc 0
67 mol 261 unq 0 iso 1 dist 6.41477 8.88741 10.1876 9.43169 8.80293 7.78464 7.15785 4.50761 6.43209 5.51688 numMergedOcc 0
68 mol 276 unq 0 iso 0 dist 9.68846 9.87655 4.97223 8.95876 13.702 11.5806 8.259 6.21925 6.7181 8.61035 numMergedOcc 0
69 mol 276 unq 0 iso 1 dist 9.68846 9.87655 4.97223 8.259 6.21925 6.7181 8.95876 13.702 11.5806 8.61035 numMergedOcc 0
