0 mol 9 unq 0 iso 0 dist 9.62394 11.0722 8.076 16.147 7.35972 8.88528 19.4709 9.93542 14.0736 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.62394 11.0722 8.076 19.4709 9.93542 14.0736 16.147 7.35972 8.88528 5.43306 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.62394 14.814 6.32226 16.147 7.35972 4.58685 19.4709 9.93542 5.83039 5.43306 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 9.62394 14.814 6.32226 19.4709 9.93542 5.83039 16.147 7.35972 4.58685 5.43306 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.41441 11.1124 6.2004 4.32034 8.00171 7.72688 12.2662 5.95834 4.82556 10.3279 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 9.41441 11.1124 6.2004 12.2662 5.95834 4.82556 4.32034 8.00171 7.72688 10.3279 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.41441 11.1124 6.2004 4.32034 8.00171 7.72688 8.67951 4.2121 6.25108 7.88693 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 9.41441 11.1124 6.2004 8.67951 4.2121 6.25108 4.32034 8.00171 7.72688 7.88693 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.41441 11.1124 6.2004 4.32034 8.00171 7.72688 8.52463 6.72323 11.8207 10.2653 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 9.41441 11.1124 6.2004 8.52463 6.72323 11.8207 4.32034 8.00171 7.72688 10.2653 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.41441 11.1124 6.2004 12.2662 5.95834 4.82556 8.67951 4.2121 6.25108 4.15946 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 9.41441 11.1124 6.2004 8.67951 4.2121 6.25108 12.2662 5.95834 4.82556 4.15946 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 9.41441 11.1124 6.2004 12.2662 5.95834 4.82556 8.52463 6.72323 11.8207 9.92026 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 9.41441 11.1124 6.2004 8.52463 6.72323 11.8207 12.2662 5.95834 4.82556 9.92026 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.41441 11.1124 6.2004 8.67951 4.2121 6.25108 8.52463 6.72323 11.8207 6.16544 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 9.41441 11.1124 6.2004 8.52463 6.72323 11.8207 8.67951 4.2121 6.25108 6.16544 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 6.73939 10.2913 6.2004 6.56748 5.95834 4.82556 4.50066 4.2121 6.25108 4.15946 numMergedOcc 0
17 mol 24 unq 3 iso 1 dist 6.73939 10.2913 6.2004 4.50066 4.2121 6.25108 6.56748 5.95834 4.82556 4.15946 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 6.73939 10.2913 6.2004 6.56748 5.95834 4.82556 11.9112 8.00171 7.72688 10.3279 numMergedOcc 0
19 mol 24 unq 4 iso 1 dist 6.73939 10.2913 6.2004 11.9112 8.00171 7.72688 6.56748 5.95834 4.82556 10.3279 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 6.73939 10.2913 6.2004 6.56748 5.95834 4.82556 5.11617 6.72323 11.8207 9.92026 numMergedOcc 0
21 mol 24 unq 5 iso 1 dist 6.73939 10.2913 6.2004 5.11617 6.72323 11.8207 6.56748 5.95834 4.82556 9.92026 numMergedOcc 0
22 mol 24 unq 4 iso 0 dist 6.73939 10.2913 6.2004 4.50066 4.2121 6.25108 11.9112 8.00171 7.72688 7.88693 numMergedOcc 0
23 mol 24 unq 4 iso 1 dist 6.73939 10.2913 6.2004 11.9112 8.00171 7.72688 4.50066 4.2121 6.25108 7.88693 numMergedOcc 0
24 mol 24 unq 5 iso 0 dist 6.73939 10.2913 6.2004 4.50066 4.2121 6.25108 5.11617 6.72323 11.8207 6.16544 numMergedOcc 0
25 mol 24 unq 5 iso 1 dist 6.73939 10.2913 6.2004 5.11617 6.72323 11.8207 4.50066 4.2121 6.25108 6.16544 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 6.73939 10.2913 6.2004 11.9112 8.00171 7.72688 5.11617 6.72323 11.8207 10.2653 numMergedOcc 0
27 mol 24 unq 5 iso 1 dist 6.73939 10.2913 6.2004 5.11617 6.72323 11.8207 11.9112 8.00171 7.72688 10.2653 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 5.9465 5.69731 9.05259 8.70803 6.77241 8.0763 9.52327 5.50508 12.2082 6.2185 numMergedOcc 0
29 mol 92 unq 0 iso 1 dist 5.9465 5.69731 9.05259 9.52327 5.50508 12.2082 8.70803 6.77241 8.0763 6.2185 numMergedOcc 0
30 mol 92 unq 1 iso 0 dist 6.97962 4.14907 9.05259 8.87994 6.77241 8.0763 11.641 5.50508 12.2082 6.2185 numMergedOcc 0
31 mol 92 unq 1 iso 1 dist 6.97962 4.14907 9.05259 11.641 5.50508 12.2082 8.87994 6.77241 8.0763 6.2185 numMergedOcc 0
32 mol 92 unq 2 iso 0 dist 9.95342 11.0506 9.05259 7.52639 6.77241 8.0763 7.34683 5.50508 12.2082 6.2185 numMergedOcc 0
33 mol 92 unq 2 iso 1 dist 9.95342 11.0506 9.05259 7.34683 5.50508 12.2082 7.52639 6.77241 8.0763 6.2185 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 6.7117 7.32662 8.43352 7.94178 7.36769 8.02554 4.4057 6.88901 11.2092 10.2754 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 6.7117 7.32662 8.43352 4.4057 6.88901 11.2092 7.94178 7.36769 8.02554 10.2754 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 4.47349 6.934 8.43352 9.85543 7.36769 8.02554 9.67482 6.88901 11.2092 10.2754 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 4.47349 6.934 8.43352 9.67482 6.88901 11.2092 9.85543 7.36769 8.02554 10.2754 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 5.65185 7.17433 8.43352 7.28361 7.36769 8.02554 12.0974 6.88901 11.2092 10.2754 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 5.65185 7.17433 8.43352 12.0974 6.88901 11.2092 7.28361 7.36769 8.02554 10.2754 numMergedOcc 0
40 mol 129 unq 0 iso 0 dist 6.28565 8.11992 9.98397 10.7293 9.73158 5.51078 7.29399 7.59327 6.80501 5.41583 numMergedOcc 0
41 mol 129 unq 0 iso 1 dist 6.28565 8.11992 9.98397 7.29399 7.59327 6.80501 10.7293 9.73158 5.51078 5.41583 numMergedOcc 0
42 mol 129 unq 1 iso 0 dist 6.28565 6.67948 9.94578 10.7293 9.73158 6.84211 7.29399 7.59327 4.53459 5.41583 numMergedOcc 0
43 mol 129 unq 1 iso 1 dist 6.28565 6.67948 9.94578 7.29399 7.59327 4.53459 10.7293 9.73158 6.84211 5.41583 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 9.97343 13.8236 7.64956 9.74444 9.10042 8.69924 6.91919 9.75059 9.41497 4.72386 numMergedOcc 0
45 mol 141 unq 0 iso 1 dist 9.97343 13.8236 7.64956 6.91919 9.75059 9.41497 9.74444 9.10042 8.69924 4.72386 numMergedOcc 0
46 mol 141 unq 1 iso 0 dist 9.97343 13.8236 7.64956 9.74444 9.10042 8.69924 10.1432 6.83404 9.53115 13.0212 numMergedOcc 0
47 mol 141 unq 1 iso 1 dist 9.97343 13.8236 7.64956 10.1432 6.83404 9.53115 9.74444 9.10042 8.69924 13.0212 numMergedOcc 0
48 mol 141 unq 1 iso 0 dist 9.97343 13.8236 7.64956 6.91919 9.75059 9.41497 10.1432 6.83404 9.53115 11.0187 numMergedOcc 0
49 mol 141 unq 1 iso 1 dist 9.97343 13.8236 7.64956 10.1432 6.83404 9.53115 6.91919 9.75059 9.41497 11.0187 numMergedOcc 0
50 mol 141 unq 2 iso 0 dist 9.70413 6.30121 7.64956 10.3716 9.10042 8.69924 7.87881 9.75059 9.41497 4.72386 numMergedOcc 0
51 mol 141 unq 2 iso 1 dist 9.70413 6.30121 7.64956 7.87881 9.75059 9.41497 10.3716 9.10042 8.69924 4.72386 numMergedOcc 0
52 mol 141 unq 3 iso 0 dist 9.70413 6.30121 7.64956 10.3716 9.10042 8.69924 7.27731 6.83404 9.53115 13.0212 numMergedOcc 0
53 mol 141 unq 3 iso 1 dist 9.70413 6.30121 7.64956 7.27731 6.83404 9.53115 10.3716 9.10042 8.69924 13.0212 numMergedOcc 0
54 mol 141 unq 3 iso 0 dist 9.70413 6.30121 7.64956 7.87881 9.75059 9.41497 7.27731 6.83404 9.53115 11.0187 numMergedOcc 0
55 mol 141 unq 3 iso 1 dist 9.70413 6.30121 7.64956 7.27731 6.83404 9.53115 7.87881 9.75059 9.41497 11.0187 numMergedOcc 0
56 mol 156 unq 0 iso 0 dist 9.00416 12.962 7.46845 10.8404 8.21184 12.4049 5.18356 5.9976 11.7015 6.12113 numMergedOcc 0
57 mol 156 unq 0 iso 1 dist 9.00416 12.962 7.46845 5.18356 5.9976 11.7015 10.8404 8.21184 12.4049 6.12113 numMergedOcc 0
58 mol 171 unq 0 iso 0 dist 9.61462 5.487 8.1536 11.5561 5.25109 9.18337 10.844 8.21618 8.83874 3.98338 numMergedOcc 0
59 mol 171 unq 0 iso 1 dist 9.61462 5.487 8.1536 10.844 8.21618 8.83874 11.5561 5.25109 9.18337 3.98338 numMergedOcc 0
60 mol 171 unq 1 iso 0 dist 6.64834 6.83134 7.32555 6.45673 7.22518 9.8515 4.78075 5.25109 9.54524 7.9115 numMergedOcc 0
61 mol 171 unq 1 iso 1 dist 6.64834 6.83134 7.32555 4.78075 5.25109 9.54524 6.45673 7.22518 9.8515 7.9115 numMergedOcc 0
62 mol 171 unq 2 iso 0 dist 5.93786 4.44751 7.32555 5.48551 7.22518 9.8515 7.9651 5.25109 9.54524 7.9115 numMergedOcc 0
63 mol 171 unq 2 iso 1 dist 5.93786 4.44751 7.32555 7.9651 5.25109 9.54524 5.48551 7.22518 9.8515 7.9115 numMergedOcc 0
64 mol 171 unq 3 iso 0 dist 8.24693 9.61561 7.32555 8.05069 7.22518 9.8515 12.6853 5.25109 9.54524 7.9115 numMergedOcc 0
65 mol 171 unq 3 iso 1 dist 8.24693 9.61561 7.32555 12.6853 5.25109 9.54524 8.05069 7.22518 9.8515 7.9115 numMergedOcc 0
66 mol 171 unq 4 iso 0 dist 7.36698 6.66219 7.32555 11.2785 7.22518 9.8515 5.90026 5.25109 9.54524 7.9115 numMergedOcc 0
67 mol 171 unq 4 iso 1 dist 7.36698 6.66219 7.32555 5.90026 5.25109 9.54524 11.2785 7.22518 9.8515 7.9115 numMergedOcc 0
68 mol 232 unq 0 iso 0 dist 8.50102 5.8023 6.57921 6.2188 9.78181 7.86594 12.3508 9.8664 13.8622 16.4381 numMergedOcc 0
69 mol 232 unq 0 iso 1 dist 8.50102 5.8023 6.57921 12.3508 9.8664 13.8622 6.2188 9.78181 7.86594 16.4381 numMergedOcc 0
70 mol 232 unq 1 iso 0 dist 9.40808 8.25884 6.57921 12.5452 9.78181 7.86594 8.80479 9.8664 13.8622 16.4381 numMergedOcc 0
71 mol 232 unq 1 iso 1 dist 9.40808 8.25884 6.57921 8.80479 9.8664 13.8622 12.5452 9.78181 7.86594 16.4381 numMergedOcc 0
72 mol 274 unq 0 iso 0 dist 8.52587 5.90436 8.2997 6.20558 6.88827 5.36428 16.3619 9.16942 14.986 11.6106 numMergedOcc 0
73 mol 274 unq 0 iso 1 dist 8.52587 5.90436 8.2997 16.3619 9.16942 14.986 6.20558 6.88827 5.36428 11.6106 numMergedOcc 0
74 mol 274 unq 1 iso 0 dist 6.39866 10.4342 8.2997 6.16703 6.88827 5.36428 5.64601 9.16942 14.986 11.6106 numMergedOcc 0
75 mol 274 unq 1 iso 1 dist 6.39866 10.4342 8.2997 5.64601 9.16942 14.986 6.16703 6.88827 5.36428 11.6106 numMergedOcc 0
