0 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 8.14351 6.20293 8.13395 10.7814 9.83618 10.4442 9.49077 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 10.7814 9.83618 9.49077 10.4442 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.13476 13.1047 9.5589 10.0565 6.83299 5.08001 6.2425 5.02241 6.91765 5.06052 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 6.13476 10.0565 6.83299 13.1047 9.5589 5.08001 6.2425 5.02241 5.06052 6.91765 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.13476 13.1047 9.5589 5.77448 8.10861 16.3192 6.2425 5.02241 6.91765 10.1332 numMergedOcc 0
5 mol 54 unq 1 iso 1 dist 6.13476 5.77448 8.10861 13.1047 9.5589 16.3192 6.2425 5.02241 10.1332 6.91765 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.13476 10.0565 6.83299 5.77448 8.10861 14.2075 6.2425 5.02241 5.06052 10.1332 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 6.13476 5.77448 8.10861 10.0565 6.83299 14.2075 6.2425 5.02241 10.1332 5.06052 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 12.0967 8.56639 5.64643 4.79472 5.15851 10.0425 11.8774 numMergedOcc 0
9 mol 75 unq 0 iso 1 dist 8.64872 12.0967 8.56639 10.4239 7.79912 5.64643 4.79472 5.15851 11.8774 10.0425 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 8.64872 10.4239 7.79912 9.60759 8.59017 10.4899 4.79472 5.15851 10.0425 10.0372 numMergedOcc 0
11 mol 75 unq 1 iso 1 dist 8.64872 9.60759 8.59017 10.4239 7.79912 10.4899 4.79472 5.15851 10.0372 10.0425 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 8.64872 12.0967 8.56639 9.60759 8.59017 7.00674 4.79472 5.15851 11.8774 10.0372 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 8.64872 9.60759 8.59017 12.0967 8.56639 7.00674 4.79472 5.15851 10.0372 11.8774 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 6.86762 5.83991 7.69052 5.39389 7.76729 10.7942 10.9739 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 5.39389 7.76729 10.9739 10.7942 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.22628 10.0419 9.33865 6.8104 6.11741 8.02349 9.16391 9.66954 6.09023 4.61908 numMergedOcc 0
17 mol 115 unq 1 iso 1 dist 5.22628 6.8104 6.11741 10.0419 9.33865 8.02349 9.16391 9.66954 4.61908 6.09023 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 6.8104 6.11741 8.02349 5.26498 7.64585 10.2377 10.8939 numMergedOcc 0
19 mol 115 unq 2 iso 1 dist 5.22628 6.8104 6.11741 10.0419 9.33865 8.02349 5.26498 7.64585 10.8939 10.2377 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 8.09965 8.45411 8.14887 11.3174 9.30299 7.30196 9.46933 8.59981 14.9761 14.085 numMergedOcc 0
21 mol 127 unq 0 iso 1 dist 8.09965 11.3174 9.30299 8.45411 8.14887 7.30196 9.46933 8.59981 14.085 14.9761 numMergedOcc 0
22 mol 127 unq 1 iso 0 dist 8.09965 8.45411 8.14887 11.3174 9.30299 7.30196 6.50291 7.34519 7.41404 13.1312 numMergedOcc 0
23 mol 127 unq 1 iso 1 dist 8.09965 11.3174 9.30299 8.45411 8.14887 7.30196 6.50291 7.34519 13.1312 7.41404 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.94909 8.76089 7.11802 6.80087 8.00618 8.18495 11.1266 7.92688 4.68409 12.2037 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 8.94909 6.80087 8.00618 8.76089 7.11802 8.18495 11.1266 7.92688 12.2037 4.68409 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 9.0847 14.8573 8.56324 8.41711 6.70283 7.65448 12.6562 9.13561 5.99333 8.25411 numMergedOcc 0
27 mol 152 unq 0 iso 1 dist 9.0847 8.41711 6.70283 14.8573 8.56324 7.65448 12.6562 9.13561 8.25411 5.99333 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 9.0847 14.8573 8.56324 4.82496 7.16148 10.6875 12.6562 9.13561 5.99333 7.89109 numMergedOcc 0
29 mol 152 unq 1 iso 1 dist 9.0847 4.82496 7.16148 14.8573 8.56324 10.6875 12.6562 9.13561 7.89109 5.99333 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 9.0847 8.41711 6.70283 4.82496 7.16148 5.49936 12.6562 9.13561 8.25411 7.89109 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 9.0847 4.82496 7.16148 8.41711 6.70283 5.49936 12.6562 9.13561 7.89109 8.25411 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 8.63795 7.652 7.42466 11.0605 9.31887 11.0415 5.0384 numMergedOcc 0
33 mol 175 unq 0 iso 1 dist 7.94593 8.63795 7.652 13.2723 9.0018 7.42466 11.0605 9.31887 5.0384 11.0415 numMergedOcc 0
34 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 7.57303 6.43573 5.34677 8.42124 8.96511 10.5783 5.96647 numMergedOcc 0
35 mol 178 unq 0 iso 1 dist 7.14849 7.57303 6.43573 6.96904 6.69288 5.34677 8.42124 8.96511 5.96647 10.5783 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 7.14849 6.96904 6.69288 14.0459 7.17202 11.7381 8.42124 8.96511 10.5783 12.075 numMergedOcc 0
37 mol 178 unq 1 iso 1 dist 7.14849 14.0459 7.17202 6.96904 6.69288 11.7381 8.42124 8.96511 12.075 10.5783 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 7.14849 6.96904 6.69288 14.3001 8.81551 14.0703 8.42124 8.96511 10.5783 9.92132 numMergedOcc 0
39 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 6.96904 6.69288 14.0703 8.42124 8.96511 9.92132 10.5783 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 7.14849 7.57303 6.43573 14.0459 7.17202 9.89739 8.42124 8.96511 5.96647 12.075 numMergedOcc 0
41 mol 178 unq 1 iso 1 dist 7.14849 14.0459 7.17202 7.57303 6.43573 9.89739 8.42124 8.96511 12.075 5.96647 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 7.14849 7.57303 6.43573 14.3001 8.81551 10.5529 8.42124 8.96511 5.96647 9.92132 numMergedOcc 0
43 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 7.57303 6.43573 10.5529 8.42124 8.96511 9.92132 5.96647 numMergedOcc 0
44 mol 178 unq 2 iso 0 dist 7.14849 14.0459 7.17202 14.3001 8.81551 5.18005 8.42124 8.96511 12.075 9.92132 numMergedOcc 0
45 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 14.0459 7.17202 5.18005 8.42124 8.96511 9.92132 12.075 numMergedOcc 0
46 mol 178 unq 3 iso 0 dist 8.63718 11.5509 6.69288 7.31401 6.43573 5.34677 8.15374 8.96511 10.5783 5.96647 numMergedOcc 0
47 mol 178 unq 3 iso 1 dist 8.63718 7.31401 6.43573 11.5509 6.69288 5.34677 8.15374 8.96511 5.96647 10.5783 numMergedOcc 0
48 mol 178 unq 4 iso 0 dist 8.63718 11.5509 6.69288 5.91018 7.17202 11.7381 8.15374 8.96511 10.5783 12.075 numMergedOcc 0
49 mol 178 unq 4 iso 1 dist 8.63718 5.91018 7.17202 11.5509 6.69288 11.7381 8.15374 8.96511 12.075 10.5783 numMergedOcc 0
50 mol 178 unq 5 iso 0 dist 8.63718 11.5509 6.69288 4.92895 8.81551 14.0703 8.15374 8.96511 10.5783 9.92132 numMergedOcc 0
51 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 11.5509 6.69288 14.0703 8.15374 8.96511 9.92132 10.5783 numMergedOcc 0
52 mol 178 unq 4 iso 0 dist 8.63718 7.31401 6.43573 5.91018 7.17202 9.89739 8.15374 8.96511 5.96647 12.075 numMergedOcc 0
53 mol 178 unq 4 iso 1 dist 8.63718 5.91018 7.17202 7.31401 6.43573 9.89739 8.15374 8.96511 12.075 5.96647 numMergedOcc 0
54 mol 178 unq 5 iso 0 dist 8.63718 7.31401 6.43573 4.92895 8.81551 10.5529 8.15374 8.96511 5.96647 9.92132 numMergedOcc 0
55 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 7.31401 6.43573 10.5529 8.15374 8.96511 9.92132 5.96647 numMergedOcc 0
56 mol 178 unq 5 iso 0 dist 8.63718 5.91018 7.17202 4.92895 8.81551 5.18005 8.15374 8.96511 12.075 9.92132 numMergedOcc 0
57 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 5.91018 7.17202 5.18005 8.15374 8.96511 9.92132 12.075 numMergedOcc 0
58 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 9.09192 6.94688 6.25083 5.86342 numMergedOcc 0
59 mol 181 unq 0 iso 1 dist 7.15963 6.73556 5.98885 14.1493 9.1374 8.88798 9.09192 6.94688 5.86342 6.25083 numMergedOcc 0
60 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 12.1848 6.71012 4.77278 9.14057 numMergedOcc 0
61 mol 181 unq 1 iso 1 dist 7.15963 6.73556 5.98885 14.1493 9.1374 8.88798 12.1848 6.71012 9.14057 4.77278 numMergedOcc 0
62 mol 181 unq 2 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 9.09192 6.94688 6.25083 6.80228 numMergedOcc 0
63 mol 181 unq 2 iso 1 dist 7.15963 5.49666 9.15386 14.1493 9.1374 12.1628 9.09192 6.94688 6.80228 6.25083 numMergedOcc 0
64 mol 181 unq 3 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 12.1848 6.71012 4.77278 11.6919 numMergedOcc 0
65 mol 181 unq 3 iso 1 dist 7.15963 5.49666 9.15386 14.1493 9.1374 12.1628 12.1848 6.71012 11.6919 4.77278 numMergedOcc 0
66 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 5.49666 9.15386 5.16002 9.09192 6.94688 5.86342 6.80228 numMergedOcc 0
67 mol 181 unq 2 iso 1 dist 7.15963 5.49666 9.15386 6.73556 5.98885 5.16002 9.09192 6.94688 6.80228 5.86342 numMergedOcc 0
68 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 5.49666 9.15386 5.16002 12.1848 6.71012 9.14057 11.6919 numMergedOcc 0
69 mol 181 unq 3 iso 1 dist 7.15963 5.49666 9.15386 6.73556 5.98885 5.16002 12.1848 6.71012 11.6919 9.14057 numMergedOcc 0
70 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 8.35604 8.51516 10.8344 6.27504 5.90931 5.09262 12.9483 numMergedOcc 0
71 mol 204 unq 0 iso 1 dist 6.20646 8.35604 8.51516 5.21426 7.10633 10.8344 6.27504 5.90931 12.9483 5.09262 numMergedOcc 0
72 mol 204 unq 1 iso 0 dist 6.73266 5.57112 7.10633 12.1292 8.51516 10.8344 6.67807 5.90931 5.09262 12.9483 numMergedOcc 0
73 mol 204 unq 1 iso 1 dist 6.73266 12.1292 8.51516 5.57112 7.10633 10.8344 6.67807 5.90931 12.9483 5.09262 numMergedOcc 0
74 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 12.4455 6.56247 6.29886 4.48571 6.25105 10.3337 11.216 numMergedOcc 0
75 mol 234 unq 0 iso 1 dist 6.15754 12.4455 6.56247 11.8245 8.34494 6.29886 4.48571 6.25105 11.216 10.3337 numMergedOcc 0
76 mol 234 unq 1 iso 0 dist 6.15754 11.8245 8.34494 14.0876 9.36357 12.1694 4.48571 6.25105 10.3337 11.4315 numMergedOcc 0
77 mol 234 unq 1 iso 1 dist 6.15754 14.0876 9.36357 11.8245 8.34494 12.1694 4.48571 6.25105 11.4315 10.3337 numMergedOcc 0
78 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 14.0876 9.36357 7.82322 4.48571 6.25105 11.216 11.4315 numMergedOcc 0
79 mol 234 unq 1 iso 1 dist 6.15754 14.0876 9.36357 12.4455 6.56247 7.82322 4.48571 6.25105 11.4315 11.216 numMergedOcc 0
80 mol 234 unq 2 iso 0 dist 6.6281 6.65785 8.34494 10.0624 6.56247 6.29886 5.91466 6.25105 10.3337 11.216 numMergedOcc 0
81 mol 234 unq 2 iso 1 dist 6.6281 10.0624 6.56247 6.65785 8.34494 6.29886 5.91466 6.25105 11.216 10.3337 numMergedOcc 0
82 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 13.9869 9.36357 12.1694 5.91466 6.25105 10.3337 11.4315 numMergedOcc 0
83 mol 234 unq 3 iso 1 dist 6.6281 13.9869 9.36357 6.65785 8.34494 12.1694 5.91466 6.25105 11.4315 10.3337 numMergedOcc 0
84 mol 234 unq 3 iso 0 dist 6.6281 10.0624 6.56247 13.9869 9.36357 7.82322 5.91466 6.25105 11.216 11.4315 numMergedOcc 0
85 mol 234 unq 3 iso 1 dist 6.6281 13.9869 9.36357 10.0624 6.56247 7.82322 5.91466 6.25105 11.4315 11.216 numMergedOcc 0
86 mol 234 unq 4 iso 0 dist 8.9413 12.4455 9.45496 14.0876 6.7625 7.82322 6.40261 9.5707 15.9563 14.4106 numMergedOcc 0
87 mol 234 unq 4 iso 1 dist 8.9413 14.0876 6.7625 12.4455 9.45496 7.82322 6.40261 9.5707 14.4106 15.9563 numMergedOcc 0
88 mol 234 unq 5 iso 0 dist 8.9413 12.4455 9.45496 14.0876 6.7625 7.82322 4.48571 7.85175 11.216 11.4315 numMergedOcc 0
89 mol 234 unq 5 iso 1 dist 8.9413 14.0876 6.7625 12.4455 9.45496 7.82322 4.48571 7.85175 11.4315 11.216 numMergedOcc 0
90 mol 234 unq 6 iso 0 dist 4.91961 11.5103 9.45496 4.98993 6.7625 7.82322 12.2893 9.5707 15.9563 14.4106 numMergedOcc 0
91 mol 234 unq 6 iso 1 dist 4.91961 4.98993 6.7625 11.5103 9.45496 7.82322 12.2893 9.5707 14.4106 15.9563 numMergedOcc 0
92 mol 234 unq 7 iso 0 dist 4.91961 11.5103 9.45496 4.98993 6.7625 7.82322 11.1927 7.85175 11.216 11.4315 numMergedOcc 0
93 mol 234 unq 7 iso 1 dist 4.91961 4.98993 6.7625 11.5103 9.45496 7.82322 11.1927 7.85175 11.4315 11.216 numMergedOcc 0
94 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 13.3575 7.68742 5.79505 4.47231 5.34718 11.8759 11.3552 numMergedOcc 0
95 mol 236 unq 0 iso 1 dist 5.99137 13.3575 7.68742 13.7629 9.81562 5.79505 4.47231 5.34718 11.3552 11.8759 numMergedOcc 0
96 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 5.03598 6.27581 9.90963 4.47231 5.34718 11.8759 6.04825 numMergedOcc 0
97 mol 236 unq 1 iso 1 dist 5.99137 5.03598 6.27581 13.7629 9.81562 9.90963 4.47231 5.34718 6.04825 11.8759 numMergedOcc 0
98 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 5.03598 6.27581 11.3368 4.47231 5.34718 11.3552 6.04825 numMergedOcc 0
99 mol 236 unq 1 iso 1 dist 5.99137 5.03598 6.27581 13.3575 7.68742 11.3368 4.47231 5.34718 6.04825 11.3552 numMergedOcc 0
100 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 6.97887 7.21521 5.55137 7.39322 6.07192 6.48757 5.51827 numMergedOcc 0
101 mol 248 unq 0 iso 1 dist 9.5107 6.97887 7.21521 11.8955 7.69895 5.55137 7.39322 6.07192 5.51827 6.48757 numMergedOcc 0
102 mol 248 unq 1 iso 0 dist 9.5107 11.8955 7.69895 5.78576 8.2965 10.8081 7.39322 6.07192 6.48757 9.29921 numMergedOcc 0
103 mol 248 unq 1 iso 1 dist 9.5107 5.78576 8.2965 11.8955 7.69895 10.8081 7.39322 6.07192 9.29921 6.48757 numMergedOcc 0
104 mol 248 unq 1 iso 0 dist 9.5107 6.97887 7.21521 5.78576 8.2965 5.86196 7.39322 6.07192 5.51827 9.29921 numMergedOcc 0
105 mol 248 unq 1 iso 1 dist 9.5107 5.78576 8.2965 6.97887 7.21521 5.86196 7.39322 6.07192 9.29921 5.51827 numMergedOcc 0
106 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 12.9748 7.48005 11.6195 11.8736 numMergedOcc 0
107 mol 259 unq 0 iso 1 dist 6.20344 6.08432 7.84554 5.56656 7.88519 4.86771 12.9748 7.48005 11.8736 11.6195 numMergedOcc 0
108 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 12.9748 7.48005 11.6195 5.79468 numMergedOcc 0
109 mol 259 unq 1 iso 1 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 12.9748 7.48005 5.79468 11.6195 numMergedOcc 0
110 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 12.9748 7.48005 11.6195 12.6649 numMergedOcc 0
111 mol 259 unq 2 iso 1 dist 6.20344 9.55719 9.18903 5.56656 7.88519 10.4881 12.9748 7.48005 12.6649 11.6195 numMergedOcc 0
112 mol 259 unq 1 iso 0 dist 6.20344 6.08432 7.84554 10.3156 7.46176 7.64658 12.9748 7.48005 11.8736 5.79468 numMergedOcc 0
113 mol 259 unq 1 iso 1 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 12.9748 7.48005 5.79468 11.8736 numMergedOcc 0
114 mol 259 unq 2 iso 0 dist 6.20344 6.08432 7.84554 9.55719 9.18903 5.87173 12.9748 7.48005 11.8736 12.6649 numMergedOcc 0
115 mol 259 unq 2 iso 1 dist 6.20344 9.55719 9.18903 6.08432 7.84554 5.87173 12.9748 7.48005 12.6649 11.8736 numMergedOcc 0
116 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 12.9748 7.48005 5.79468 12.6649 numMergedOcc 0
117 mol 259 unq 2 iso 1 dist 6.20344 9.55719 9.18903 10.3156 7.46176 10.5239 12.9748 7.48005 12.6649 5.79468 numMergedOcc 0
118 mol 261 unq 0 iso 0 dist 9.45818 10.6944 9.14619 13.2478 8.45658 7.00201 8.80851 7.47164 7.49174 5.22253 numMergedOcc 0
119 mol 261 unq 0 iso 1 dist 9.45818 13.2478 8.45658 10.6944 9.14619 7.00201 8.80851 7.47164 5.22253 7.49174 numMergedOcc 0
