0 mol 1 unq 0 iso 0 dist 8.27735 5.27206 9.00903 6.03793 8.56884 9.01967 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 6.62605 6.85412 8.27962 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.25179 13.7 8.57077 4.75933 6.33889 11.4878 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.72522 16.5569 8.57077 11.0121 6.85412 8.27962 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.72522 16.5569 8.57077 6.35665 6.33889 11.4878 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 10.7829 9.75144 5.39241 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.34549 4.76147 8.34347 7.23551 6.73162 7.23546 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 8.09068 6.30129 8.34347 4.03252 6.73162 7.23546 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 9.72289 5.93227 8.34347 8.34836 6.73162 7.23546 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 10.7814 9.83618 10.4442 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 10.7814 9.83618 9.49077 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 6.13476 13.1047 9.5589 6.2425 5.02241 6.91765 numMergedOcc 0
12 mol 54 unq 1 iso 0 dist 6.13476 10.0565 6.83299 6.2425 5.02241 5.06052 numMergedOcc 0
13 mol 54 unq 2 iso 0 dist 6.13476 5.77448 8.10861 6.2425 5.02241 10.1332 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.04163 6.34076 5.93252 11.4785 5.64598 9.77992 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 8.88953 3.92763 5.93252 12.0993 5.64598 9.77992 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 4.79472 5.15851 10.0425 numMergedOcc 0
17 mol 75 unq 1 iso 0 dist 8.64872 12.0967 8.56639 4.79472 5.15851 11.8774 numMergedOcc 0
18 mol 75 unq 2 iso 0 dist 8.64872 9.60759 8.59017 4.79472 5.15851 10.0372 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 9.32453 8.18176 6.97941 12.9327 9.49449 6.06861 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 5.39389 7.76729 10.7942 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 5.39389 7.76729 10.9739 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 9.16391 9.66954 6.09023 numMergedOcc 0
23 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 5.26498 7.64585 10.2377 numMergedOcc 0
24 mol 115 unq 4 iso 0 dist 5.22628 6.8104 6.11741 9.16391 9.66954 4.61908 numMergedOcc 0
25 mol 115 unq 5 iso 0 dist 5.22628 6.8104 6.11741 5.26498 7.64585 10.8939 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 8.09965 8.45411 8.14887 9.46933 8.59981 14.9761 numMergedOcc 0
27 mol 127 unq 1 iso 0 dist 8.09965 8.45411 8.14887 6.50291 7.34519 7.41404 numMergedOcc 0
28 mol 127 unq 2 iso 0 dist 8.09965 11.3174 9.30299 9.46933 8.59981 14.085 numMergedOcc 0
29 mol 127 unq 3 iso 0 dist 8.09965 11.3174 9.30299 6.50291 7.34519 13.1312 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 8.94909 8.76089 7.11802 11.1266 7.92688 4.68409 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 11.1266 7.92688 12.2037 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 9.0847 14.8573 8.56324 12.6562 9.13561 5.99333 numMergedOcc 0
33 mol 152 unq 1 iso 0 dist 9.0847 8.41711 6.70283 12.6562 9.13561 8.25411 numMergedOcc 0
34 mol 152 unq 2 iso 0 dist 9.0847 4.82496 7.16148 12.6562 9.13561 7.89109 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 11.0605 9.31887 11.0415 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 7.94593 8.63795 7.652 11.0605 9.31887 5.0384 numMergedOcc 0
37 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 8.42124 8.96511 10.5783 numMergedOcc 0
38 mol 178 unq 1 iso 0 dist 7.14849 7.57303 6.43573 8.42124 8.96511 5.96647 numMergedOcc 0
39 mol 178 unq 2 iso 0 dist 7.14849 14.0459 7.17202 8.42124 8.96511 12.075 numMergedOcc 0
40 mol 178 unq 3 iso 0 dist 7.14849 14.3001 8.81551 8.42124 8.96511 9.92132 numMergedOcc 0
41 mol 178 unq 4 iso 0 dist 8.63718 11.5509 6.69288 8.15374 8.96511 10.5783 numMergedOcc 0
42 mol 178 unq 5 iso 0 dist 8.63718 7.31401 6.43573 8.15374 8.96511 5.96647 numMergedOcc 0
43 mol 178 unq 6 iso 0 dist 8.63718 5.91018 7.17202 8.15374 8.96511 12.075 numMergedOcc 0
44 mol 178 unq 7 iso 0 dist 8.63718 4.92895 8.81551 8.15374 8.96511 9.92132 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 10.9336 6.93764 4.80231 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 9.09192 6.94688 6.25083 numMergedOcc 0
47 mol 181 unq 2 iso 0 dist 7.15963 14.1493 9.1374 12.1848 6.71012 4.77278 numMergedOcc 0
48 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 9.09192 6.94688 5.86342 numMergedOcc 0
49 mol 181 unq 4 iso 0 dist 7.15963 6.73556 5.98885 12.1848 6.71012 9.14057 numMergedOcc 0
50 mol 181 unq 5 iso 0 dist 7.15963 5.49666 9.15386 9.09192 6.94688 6.80228 numMergedOcc 0
51 mol 181 unq 6 iso 0 dist 7.15963 5.49666 9.15386 12.1848 6.71012 11.6919 numMergedOcc 0
52 mol 181 unq 7 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 numMergedOcc 0
53 mol 181 unq 8 iso 0 dist 8.80581 10.209 7.63312 5.98221 6.93764 4.80231 numMergedOcc 0
54 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 6.15396 8.36822 5.71262 numMergedOcc 0
55 mol 197 unq 0 iso 0 dist 9.14737 9.23779 8.56633 7.69844 8.99696 9.82139 numMergedOcc 0
56 mol 197 unq 1 iso 0 dist 9.14737 9.23779 8.56633 15.0242 7.85058 8.72637 numMergedOcc 0
57 mol 197 unq 2 iso 0 dist 9.14737 9.23779 8.56633 12.1399 9.96638 5.69148 numMergedOcc 0
58 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 6.27504 5.90931 5.09262 numMergedOcc 0
59 mol 204 unq 1 iso 0 dist 6.20646 8.35604 8.51516 6.27504 5.90931 12.9483 numMergedOcc 0
60 mol 204 unq 2 iso 0 dist 6.73266 5.57112 7.10633 6.67807 5.90931 5.09262 numMergedOcc 0
61 mol 204 unq 3 iso 0 dist 6.73266 12.1292 8.51516 6.67807 5.90931 12.9483 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 4.53973 7.06793 9.36098 numMergedOcc 0
63 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 5.98813 6.67585 5.29877 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 4.48571 6.25105 10.3337 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 4.48571 6.25105 11.216 numMergedOcc 0
66 mol 234 unq 2 iso 0 dist 6.15754 14.0876 9.36357 4.48571 6.25105 11.4315 numMergedOcc 0
67 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 5.91466 6.25105 10.3337 numMergedOcc 0
68 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 5.91466 6.25105 11.216 numMergedOcc 0
69 mol 234 unq 5 iso 0 dist 6.6281 13.9869 9.36357 5.91466 6.25105 11.4315 numMergedOcc 0
70 mol 234 unq 6 iso 0 dist 8.9413 12.4455 9.45496 6.40261 9.5707 15.9563 numMergedOcc 0
71 mol 234 unq 7 iso 0 dist 8.9413 12.4455 9.45496 4.48571 7.85175 11.216 numMergedOcc 0
72 mol 234 unq 8 iso 0 dist 8.9413 14.0876 6.7625 6.40261 9.5707 14.4106 numMergedOcc 0
73 mol 234 unq 9 iso 0 dist 8.9413 14.0876 6.7625 4.48571 7.85175 11.4315 numMergedOcc 0
74 mol 234 unq 10 iso 0 dist 4.91961 11.5103 9.45496 12.2893 9.5707 15.9563 numMergedOcc 0
75 mol 234 unq 11 iso 0 dist 4.91961 11.5103 9.45496 11.1927 7.85175 11.216 numMergedOcc 0
76 mol 234 unq 12 iso 0 dist 4.91961 4.98993 6.7625 12.2893 9.5707 14.4106 numMergedOcc 0
77 mol 234 unq 13 iso 0 dist 4.91961 4.98993 6.7625 11.1927 7.85175 11.4315 numMergedOcc 0
78 mol 235 unq 0 iso 0 dist 8.84872 4.28841 5.4638 13.4086 9.58736 9.66021 numMergedOcc 0
79 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 4.47231 5.34718 11.8759 numMergedOcc 0
80 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 4.47231 5.34718 11.3552 numMergedOcc 0
81 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 4.47231 5.34718 6.04825 numMergedOcc 0
82 mol 238 unq 0 iso 0 dist 8.39522 4.88998 6.57393 10.4124 6.91569 10.9761 numMergedOcc 0
83 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 7.39322 6.07192 6.48757 numMergedOcc 0
84 mol 248 unq 1 iso 0 dist 9.5107 6.97887 7.21521 7.39322 6.07192 5.51827 numMergedOcc 0
85 mol 248 unq 2 iso 0 dist 9.5107 5.78576 8.2965 7.39322 6.07192 9.29921 numMergedOcc 0
86 mol 253 unq 0 iso 0 dist 9.86979 7.79167 9.02271 10.094 7.19465 7.92528 numMergedOcc 0
87 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 12.9748 7.48005 11.6195 numMergedOcc 0
88 mol 259 unq 1 iso 0 dist 6.20344 6.08432 7.84554 12.9748 7.48005 11.8736 numMergedOcc 0
89 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 12.9748 7.48005 5.79468 numMergedOcc 0
90 mol 259 unq 3 iso 0 dist 6.20344 9.55719 9.18903 12.9748 7.48005 12.6649 numMergedOcc 0
91 mol 261 unq 0 iso 0 dist 9.45818 10.6944 9.14619 8.80851 7.47164 7.49174 numMergedOcc 0
92 mol 261 unq 1 iso 0 dist 9.45818 13.2478 8.45658 8.80851 7.47164 5.22253 numMergedOcc 0
93 mol 277 unq 0 iso 0 dist 9.64889 15.4648 9.7748 10.971 9.41725 6.58374 numMergedOcc 0
94 mol 282 unq 0 iso 0 dist 7.12228 4.36798 6.33524 7.00729 7.32347 6.3384 numMergedOcc 0
