0 mol 4 unq 0 iso 0 dist 8.24634 7.66731 5.58487 6.29581 7.35416 5.70412 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.02702 6.58469 8.60435 6.55304 6.14469 12.4861 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.72114 16.4405 8.60435 6.34041 6.14469 12.4861 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.62394 11.0722 8.076 16.147 7.35972 8.88528 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.62394 11.0722 8.076 19.4709 9.93542 14.0736 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 9.62394 14.814 6.32226 16.147 7.35972 4.58685 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 9.62394 14.814 6.32226 19.4709 9.93542 5.83039 numMergedOcc 0
7 mol 9 unq 4 iso 0 dist 7.32257 9.87669 6.59455 8.50424 7.35972 13.7528 numMergedOcc 0
8 mol 9 unq 5 iso 0 dist 6.55811 11.4245 6.59455 6.02809 7.35972 13.7528 numMergedOcc 0
9 mol 9 unq 6 iso 0 dist 8.64915 14.7278 6.59455 4.98827 7.35972 13.7528 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 6.41575 5.18512 6.39966 9.74255 9.95212 13.9675 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 6.41423 9.47529 6.39966 7.08342 9.95212 13.9675 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 7.33768 6.00575 9.69752 6.66749 8.00171 11.9395 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 9.41441 11.1124 6.2004 4.32034 8.00171 7.72688 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.41441 11.1124 6.2004 12.2662 5.95834 4.82556 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 9.41441 11.1124 6.2004 8.67951 4.2121 6.25108 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 9.41441 11.1124 6.2004 8.52463 6.72323 11.8207 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 6.73939 10.2913 6.2004 6.56748 5.95834 4.82556 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 6.73939 10.2913 6.2004 4.50066 4.2121 6.25108 numMergedOcc 0
19 mol 24 unq 7 iso 0 dist 6.73939 10.2913 6.2004 11.9112 8.00171 7.72688 numMergedOcc 0
20 mol 24 unq 8 iso 0 dist 6.73939 10.2913 6.2004 5.11617 6.72323 11.8207 numMergedOcc 0
21 mol 24 unq 9 iso 0 dist 8.4051 4.33963 4.90592 12.176 6.72323 10.0715 numMergedOcc 0
22 mol 24 unq 10 iso 0 dist 8.4051 17.4067 9.36461 12.176 6.72323 11.9395 numMergedOcc 0
23 mol 24 unq 11 iso 0 dist 7.29868 12.0003 4.90592 6.66749 6.72323 10.0715 numMergedOcc 0
24 mol 24 unq 12 iso 0 dist 7.29868 6.00575 9.36461 6.66749 6.72323 11.9395 numMergedOcc 0
25 mol 24 unq 13 iso 0 dist 8.60554 11.2106 4.90592 14.012 6.72323 10.0715 numMergedOcc 0
26 mol 24 unq 14 iso 0 dist 8.60554 5.97304 9.36461 14.012 6.72323 11.9395 numMergedOcc 0
27 mol 73 unq 0 iso 0 dist 9.24757 8.26458 6.48232 6.29906 8.87464 7.86177 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 9.82915 6.37974 8.70863 10.4987 9.66222 8.31077 numMergedOcc 0
29 mol 92 unq 0 iso 0 dist 5.9465 5.69731 9.05259 8.70803 6.77241 8.0763 numMergedOcc 0
30 mol 92 unq 1 iso 0 dist 5.9465 5.69731 9.05259 9.52327 5.50508 12.2082 numMergedOcc 0
31 mol 92 unq 2 iso 0 dist 6.97962 4.14907 9.05259 8.87994 6.77241 8.0763 numMergedOcc 0
32 mol 92 unq 3 iso 0 dist 6.97962 4.14907 9.05259 11.641 5.50508 12.2082 numMergedOcc 0
33 mol 92 unq 4 iso 0 dist 9.95342 11.0506 9.05259 7.52639 6.77241 8.0763 numMergedOcc 0
34 mol 92 unq 5 iso 0 dist 9.95342 11.0506 9.05259 7.34683 5.50508 12.2082 numMergedOcc 0
35 mol 92 unq 6 iso 0 dist 7.52354 7.23437 8.29345 14.3301 9.91054 9.01596 numMergedOcc 0
36 mol 98 unq 0 iso 0 dist 6.7117 7.32662 8.43352 7.94178 7.36769 8.02554 numMergedOcc 0
37 mol 98 unq 1 iso 0 dist 6.7117 7.32662 8.43352 4.4057 6.88901 11.2092 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 4.47349 6.934 8.43352 9.85543 7.36769 8.02554 numMergedOcc 0
39 mol 98 unq 3 iso 0 dist 4.47349 6.934 8.43352 9.67482 6.88901 11.2092 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 5.65185 7.17433 8.43352 7.28361 7.36769 8.02554 numMergedOcc 0
41 mol 98 unq 5 iso 0 dist 5.65185 7.17433 8.43352 12.0974 6.88901 11.2092 numMergedOcc 0
42 mol 129 unq 0 iso 0 dist 6.28565 8.11992 9.98397 10.7293 9.73158 5.51078 numMergedOcc 0
43 mol 129 unq 1 iso 0 dist 6.28565 8.11992 9.98397 7.29399 7.59327 6.80501 numMergedOcc 0
44 mol 129 unq 2 iso 0 dist 6.28565 6.67948 9.94578 10.7293 9.73158 6.84211 numMergedOcc 0
45 mol 129 unq 3 iso 0 dist 6.28565 6.67948 9.94578 7.29399 7.59327 4.53459 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 7.69991 13.1292 9.30061 7.41674 6.40575 14.2253 numMergedOcc 0
47 mol 134 unq 1 iso 0 dist 6.23142 9.4027 9.30061 9.87376 6.40575 14.2253 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 9.94764 5.12325 9.30061 14.9876 6.40575 14.2253 numMergedOcc 0
49 mol 141 unq 0 iso 0 dist 8.10291 11.2667 9.78667 14.7684 9.83945 8.69924 numMergedOcc 0
50 mol 141 unq 1 iso 0 dist 8.10291 7.52924 8.47026 14.7684 9.83945 9.33878 numMergedOcc 0
51 mol 141 unq 2 iso 0 dist 9.97343 13.8236 7.64956 9.74444 9.10042 8.69924 numMergedOcc 0
52 mol 141 unq 3 iso 0 dist 9.97343 13.8236 7.64956 6.91919 9.75059 9.41497 numMergedOcc 0
53 mol 141 unq 4 iso 0 dist 9.97343 13.8236 7.64956 10.1432 6.83404 9.53115 numMergedOcc 0
54 mol 141 unq 5 iso 0 dist 9.70413 6.30121 7.64956 10.3716 9.10042 8.69924 numMergedOcc 0
55 mol 141 unq 6 iso 0 dist 9.70413 6.30121 7.64956 7.87881 9.75059 9.41497 numMergedOcc 0
56 mol 141 unq 7 iso 0 dist 9.70413 6.30121 7.64956 7.27731 6.83404 9.53115 numMergedOcc 0
57 mol 156 unq 0 iso 0 dist 9.00416 12.962 7.46845 10.8404 8.21184 12.4049 numMergedOcc 0
58 mol 156 unq 1 iso 0 dist 9.00416 12.962 7.46845 5.18356 5.9976 11.7015 numMergedOcc 0
59 mol 171 unq 0 iso 0 dist 9.61462 5.487 8.1536 11.5561 5.25109 9.18337 numMergedOcc 0
60 mol 171 unq 1 iso 0 dist 9.61462 5.487 8.1536 10.844 8.21618 8.83874 numMergedOcc 0
61 mol 171 unq 2 iso 0 dist 6.64834 6.83134 7.32555 6.45673 7.22518 9.8515 numMergedOcc 0
62 mol 171 unq 3 iso 0 dist 6.64834 6.83134 7.32555 4.78075 5.25109 9.54524 numMergedOcc 0
63 mol 171 unq 4 iso 0 dist 5.93786 4.44751 7.32555 5.48551 7.22518 9.8515 numMergedOcc 0
64 mol 171 unq 5 iso 0 dist 5.93786 4.44751 7.32555 7.9651 5.25109 9.54524 numMergedOcc 0
65 mol 171 unq 6 iso 0 dist 8.24693 9.61561 7.32555 8.05069 7.22518 9.8515 numMergedOcc 0
66 mol 171 unq 7 iso 0 dist 8.24693 9.61561 7.32555 12.6853 5.25109 9.54524 numMergedOcc 0
67 mol 171 unq 8 iso 0 dist 7.36698 6.66219 7.32555 11.2785 7.22518 9.8515 numMergedOcc 0
68 mol 171 unq 9 iso 0 dist 7.36698 6.66219 7.32555 5.90026 5.25109 9.54524 numMergedOcc 0
69 mol 181 unq 0 iso 0 dist 9.72611 5.93488 7.11785 12.7358 7.22883 8.30281 numMergedOcc 0
70 mol 194 unq 0 iso 0 dist 8.65535 6.66155 6.37788 11.6598 6.1886 8.43261 numMergedOcc 0
71 mol 194 unq 1 iso 0 dist 8.65535 5.4499 8.7028 11.6598 6.1886 13.8424 numMergedOcc 0
72 mol 226 unq 0 iso 0 dist 8.80683 10.142 6.26945 7.92585 5.70795 6.85639 numMergedOcc 0
73 mol 226 unq 1 iso 0 dist 6.11704 6.05184 6.26945 7.554 5.70795 6.85639 numMergedOcc 0
74 mol 232 unq 0 iso 0 dist 8.50102 5.8023 6.57921 6.2188 9.78181 7.86594 numMergedOcc 0
75 mol 232 unq 1 iso 0 dist 8.50102 5.8023 6.57921 12.3508 9.8664 13.8622 numMergedOcc 0
76 mol 232 unq 2 iso 0 dist 9.40808 8.25884 6.57921 12.5452 9.78181 7.86594 numMergedOcc 0
77 mol 232 unq 3 iso 0 dist 9.40808 8.25884 6.57921 8.80479 9.8664 13.8622 numMergedOcc 0
78 mol 232 unq 4 iso 0 dist 9.05071 14.8035 8.28466 4.9377 9.8664 12.721 numMergedOcc 0
79 mol 237 unq 0 iso 0 dist 9.20822 5.65087 5.06628 10.6582 8.10254 5.90415 numMergedOcc 0
80 mol 237 unq 1 iso 0 dist 9.16003 7.80935 9.54499 11.1554 8.10254 9.25593 numMergedOcc 0
81 mol 237 unq 2 iso 0 dist 9.16003 5.51666 5.6703 11.1554 8.10254 6.26206 numMergedOcc 0
82 mol 265 unq 0 iso 0 dist 6.71375 7.4402 8.85062 10.0732 8.984 5.37186 numMergedOcc 0
83 mol 274 unq 0 iso 0 dist 7.46394 13.7877 7.79704 11.1602 7.75216 5.57372 numMergedOcc 0
84 mol 274 unq 1 iso 0 dist 7.46394 16.6011 9.39276 11.1602 7.75216 12.4711 numMergedOcc 0
85 mol 274 unq 2 iso 0 dist 9.45514 8.09454 7.79704 6.52035 7.75216 5.57372 numMergedOcc 0
86 mol 274 unq 3 iso 0 dist 9.45514 14.1363 9.39276 6.52035 7.75216 12.4711 numMergedOcc 0
87 mol 274 unq 4 iso 0 dist 8.91672 6.23174 7.79704 5.58338 7.75216 5.57372 numMergedOcc 0
88 mol 274 unq 5 iso 0 dist 8.91672 10.9037 9.39276 5.58338 7.75216 12.4711 numMergedOcc 0
89 mol 274 unq 6 iso 0 dist 7.1729 10.0424 7.79704 5.71192 7.75216 5.57372 numMergedOcc 0
90 mol 274 unq 7 iso 0 dist 7.1729 15.375 9.39276 5.71192 7.75216 12.4711 numMergedOcc 0
91 mol 274 unq 8 iso 0 dist 8.52587 5.90436 8.2997 6.20558 6.88827 5.36428 numMergedOcc 0
92 mol 274 unq 9 iso 0 dist 8.52587 5.90436 8.2997 16.3619 9.16942 14.986 numMergedOcc 0
93 mol 274 unq 10 iso 0 dist 6.39866 10.4342 8.2997 6.16703 6.88827 5.36428 numMergedOcc 0
94 mol 274 unq 11 iso 0 dist 6.39866 10.4342 8.2997 5.64601 9.16942 14.986 numMergedOcc 0
