0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 9.23213 5.08793 10.4498 6.26831 6.34883 9.19662 4.04089 7.40865 9.11323 9.46298 9.30151 5.73813 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 9.23213 10.4498 5.08793 6.26831 9.19662 6.34883 4.04089 7.40865 9.46298 9.11323 9.30151 5.73813 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.6994 7.15528 7.19817 8.81979 5.63197 5.52201 6.26831 6.34883 9.19662 7.56754 7.40865 9.11323 9.46298 6.11501 5.73813 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.15528 9.6994 7.19817 8.81979 5.52201 5.63197 6.26831 9.19662 6.34883 7.56754 7.40865 9.46298 9.11323 6.11501 5.73813 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 6.92532 12.3486 5.18512 15.1136 7.75618 4.96411 9.74255 6.2337 13.9675 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 6.92532 5.18512 12.3486 15.1136 7.75618 9.74255 4.96411 6.2337 13.9675 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 6.92532 12.3486 5.18512 6.87842 7.75618 4.96411 9.74255 14.4867 13.9675 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 6.92532 5.18512 12.3486 6.87842 7.75618 9.74255 4.96411 14.4867 13.9675 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 6.92532 12.3486 5.18512 6.34272 7.75618 4.96411 9.74255 11.4087 13.9675 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 6.92532 5.18512 12.3486 6.34272 7.75618 9.74255 4.96411 11.4087 13.9675 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 6.92532 12.3486 9.47529 15.1136 7.75618 4.96411 7.08342 6.2337 13.9675 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 6.92532 9.47529 12.3486 15.1136 7.75618 7.08342 4.96411 6.2337 13.9675 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 6.92532 12.3486 9.47529 6.87842 7.75618 4.96411 7.08342 14.4867 13.9675 numMergedOcc 0
13 mol 19 unq 4 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 6.92532 9.47529 12.3486 6.87842 7.75618 7.08342 4.96411 14.4867 13.9675 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 6.92532 12.3486 9.47529 6.34272 7.75618 4.96411 7.08342 11.4087 13.9675 numMergedOcc 0
15 mol 19 unq 5 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 6.92532 9.47529 12.3486 6.34272 7.75618 7.08342 4.96411 11.4087 13.9675 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 6.92532 5.18512 9.47529 15.1136 7.75618 9.74255 7.08342 6.2337 13.9675 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 6.92532 9.47529 5.18512 15.1136 7.75618 7.08342 9.74255 6.2337 13.9675 numMergedOcc 0
18 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 6.92532 5.18512 9.47529 6.87842 7.75618 9.74255 7.08342 14.4867 13.9675 numMergedOcc 0
19 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 6.92532 9.47529 5.18512 6.87842 7.75618 7.08342 9.74255 14.4867 13.9675 numMergedOcc 0
20 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 6.92532 5.18512 9.47529 6.34272 7.75618 9.74255 7.08342 11.4087 13.9675 numMergedOcc 0
21 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 6.92532 9.47529 5.18512 6.34272 7.75618 7.08342 9.74255 11.4087 13.9675 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 7.685 8.43188 10.3635 5.81959 7.63409 8.4666 9.96732 8.6653 5.64303 5.82503 12.9735 6.61233 numMergedOcc 0
23 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 5.81959 8.4666 7.63409 9.96732 8.6653 5.82503 5.64303 12.9735 6.61233 numMergedOcc 0
24 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 7.18176 5.93337 4.5482 9.66501 4.88603 12.277 8.75928 6.31696 11.6682 6.66056 6.29814 12.6605 numMergedOcc 0
25 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 7.18176 4.5482 5.93337 9.66501 12.277 4.88603 8.75928 6.31696 6.66056 11.6682 6.29814 12.6605 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 6.61823 6.08245 7.24315 10.4141 8.91313 17.5889 13.3881 10.2475 14.4996 numMergedOcc 0
27 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 6.61823 7.24315 6.08245 10.4141 8.91313 13.3881 17.5889 10.2475 14.4996 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 6.61823 6.08245 7.24315 10.4141 8.16392 10.8304 5.90097 6.94695 6.90324 numMergedOcc 0
29 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 6.61823 7.24315 6.08245 10.4141 8.16392 5.90097 10.8304 6.94695 6.90324 numMergedOcc 0
30 mol 92 unq 2 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 6.49956 6.86728 12.163 4.36639 8.91313 17.5889 13.3881 10.2475 12.0757 numMergedOcc 0
31 mol 92 unq 2 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 6.49956 12.163 6.86728 4.36639 8.91313 13.3881 17.5889 10.2475 12.0757 numMergedOcc 0
32 mol 92 unq 3 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 6.49956 6.86728 12.163 4.36639 8.16392 10.8304 5.90097 6.94695 7.64508 numMergedOcc 0
33 mol 92 unq 3 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 6.49956 12.163 6.86728 4.36639 8.16392 5.90097 10.8304 6.94695 7.64508 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 9.00544 11.8512 14.9392 14.6145 7.38135 7.11701 11.2312 11.0949 5.46256 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 9.00544 14.9392 11.8512 14.6145 7.38135 11.2312 7.11701 11.0949 5.46256 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 7.12017 9.52882 12.6602 6.00843 7.38135 7.11701 11.2312 11.0949 9.38256 numMergedOcc 0
37 mol 100 unq 1 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.12017 12.6602 9.52882 6.00843 7.38135 11.2312 7.11701 11.0949 9.38256 numMergedOcc 0
38 mol 100 unq 2 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 9.00544 11.8512 9.01214 14.6145 7.38135 7.11701 7.79768 11.0949 5.46256 numMergedOcc 0
39 mol 100 unq 2 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 9.00544 9.01214 11.8512 14.6145 7.38135 7.79768 7.11701 11.0949 5.46256 numMergedOcc 0
40 mol 100 unq 3 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 7.12017 9.52882 14.8674 6.00843 7.38135 7.11701 7.79768 11.0949 9.38256 numMergedOcc 0
41 mol 100 unq 3 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 7.12017 14.8674 9.52882 6.00843 7.38135 7.79768 7.11701 11.0949 9.38256 numMergedOcc 0
42 mol 100 unq 2 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 9.00544 14.9392 9.01214 14.6145 7.38135 11.2312 7.79768 11.0949 5.46256 numMergedOcc 0
43 mol 100 unq 2 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 9.00544 9.01214 14.9392 14.6145 7.38135 7.79768 11.2312 11.0949 5.46256 numMergedOcc 0
44 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.12017 12.6602 14.8674 6.00843 7.38135 11.2312 7.79768 11.0949 9.38256 numMergedOcc 0
45 mol 100 unq 3 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 7.12017 14.8674 12.6602 6.00843 7.38135 7.79768 11.2312 11.0949 9.38256 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.53031 5.35679 8.46636 11.9544 7.80532 7.41674 9.87376 14.1488 8.98004 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.53031 8.46636 5.35679 11.9544 7.80532 9.87376 7.41674 14.1488 8.98004 numMergedOcc 0
48 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 7.73169 5.71107 11.2067 14.0853 7.30357 10.4977 12.3086 11.9671 8.40261 numMergedOcc 0
49 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 7.73169 11.2067 5.71107 14.0853 7.30357 12.3086 10.4977 11.9671 8.40261 numMergedOcc 0
50 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 7.73169 5.71107 11.2067 14.0853 8.61587 12.4274 10.9151 8.69711 12.8796 numMergedOcc 0
51 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 7.73169 11.2067 5.71107 14.0853 8.61587 10.9151 12.4274 8.69711 12.8796 numMergedOcc 0
52 mol 156 unq 2 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 5.38091 10.7023 9.00862 5.33988 7.30357 10.4977 12.3086 11.9671 12.4049 numMergedOcc 0
53 mol 156 unq 2 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 5.38091 9.00862 10.7023 5.33988 7.30357 12.3086 10.4977 11.9671 12.4049 numMergedOcc 0
54 mol 156 unq 3 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 5.38091 10.7023 9.00862 5.33988 8.61587 12.4274 10.9151 8.69711 11.7015 numMergedOcc 0
55 mol 156 unq 3 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 5.38091 9.00862 10.7023 5.33988 8.61587 10.9151 12.4274 8.69711 11.7015 numMergedOcc 0
56 mol 156 unq 4 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 7.73169 5.71107 9.44399 14.0853 7.30357 10.4977 7.79535 11.9671 8.40261 numMergedOcc 0
57 mol 156 unq 4 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 7.73169 9.44399 5.71107 14.0853 7.30357 7.79535 10.4977 11.9671 8.40261 numMergedOcc 0
58 mol 156 unq 5 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 7.73169 5.71107 9.44399 14.0853 8.61587 12.4274 6.98125 8.69711 12.8796 numMergedOcc 0
59 mol 156 unq 5 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 7.73169 9.44399 5.71107 14.0853 8.61587 6.98125 12.4274 8.69711 12.8796 numMergedOcc 0
60 mol 156 unq 6 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 5.38091 10.7023 11.1271 5.33988 7.30357 10.4977 7.79535 11.9671 12.4049 numMergedOcc 0
61 mol 156 unq 6 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 5.38091 11.1271 10.7023 5.33988 7.30357 7.79535 10.4977 11.9671 12.4049 numMergedOcc 0
62 mol 156 unq 7 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 5.38091 10.7023 11.1271 5.33988 8.61587 12.4274 6.98125 8.69711 11.7015 numMergedOcc 0
63 mol 156 unq 7 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 5.38091 11.1271 10.7023 5.33988 8.61587 6.98125 12.4274 8.69711 11.7015 numMergedOcc 0
64 mol 156 unq 4 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 7.73169 11.2067 9.44399 14.0853 7.30357 12.3086 7.79535 11.9671 8.40261 numMergedOcc 0
65 mol 156 unq 4 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 7.73169 9.44399 11.2067 14.0853 7.30357 7.79535 12.3086 11.9671 8.40261 numMergedOcc 0
66 mol 156 unq 5 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 7.73169 11.2067 9.44399 14.0853 8.61587 10.9151 6.98125 8.69711 12.8796 numMergedOcc 0
67 mol 156 unq 5 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 7.73169 9.44399 11.2067 14.0853 8.61587 6.98125 10.9151 8.69711 12.8796 numMergedOcc 0
68 mol 156 unq 6 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 5.38091 9.00862 11.1271 5.33988 7.30357 12.3086 7.79535 11.9671 12.4049 numMergedOcc 0
69 mol 156 unq 6 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 5.38091 11.1271 9.00862 5.33988 7.30357 7.79535 12.3086 11.9671 12.4049 numMergedOcc 0
70 mol 156 unq 7 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 5.38091 9.00862 11.1271 5.33988 8.61587 10.9151 6.98125 8.69711 11.7015 numMergedOcc 0
71 mol 156 unq 7 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 5.38091 11.1271 9.00862 5.33988 8.61587 6.98125 10.9151 8.69711 11.7015 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 6.51749 13.8722 5.93488 10.4684 8.90963 8.91338 9.81073 4.43678 13.0913 numMergedOcc 0
73 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 6.51749 5.93488 13.8722 10.4684 8.90963 9.81073 8.91338 4.43678 13.0913 numMergedOcc 0
74 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 6.51749 13.8722 5.93488 12.69 8.90963 8.91338 9.81073 6.03415 13.0913 numMergedOcc 0
75 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 6.51749 5.93488 13.8722 12.69 8.90963 9.81073 8.91338 6.03415 13.0913 numMergedOcc 0
76 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 6.51749 13.8722 7.64267 10.4684 8.90963 8.91338 9.34211 4.43678 13.0913 numMergedOcc 0
77 mol 181 unq 2 iso 1 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 6.51749 7.64267 13.8722 10.4684 8.90963 9.34211 8.91338 4.43678 13.0913 numMergedOcc 0
78 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 6.51749 13.8722 7.64267 12.69 8.90963 8.91338 9.34211 6.03415 13.0913 numMergedOcc 0
79 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 6.51749 7.64267 13.8722 12.69 8.90963 9.34211 8.91338 6.03415 13.0913 numMergedOcc 0
80 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 6.51749 5.93488 7.64267 10.4684 8.90963 9.81073 9.34211 4.43678 13.0913 numMergedOcc 0
81 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 6.51749 7.64267 5.93488 10.4684 8.90963 9.34211 9.81073 4.43678 13.0913 numMergedOcc 0
82 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 6.51749 5.93488 7.64267 12.69 8.90963 9.81073 9.34211 6.03415 13.0913 numMergedOcc 0
83 mol 181 unq 3 iso 1 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 6.51749 7.64267 5.93488 12.69 8.90963 9.34211 9.81073 6.03415 13.0913 numMergedOcc 0
84 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 5.90931 5.09262 12.9483 6.85441 8.17229 5.74707 10.7974 9.68728 7.67571 10.8573 11.145 5.42649 numMergedOcc 0
85 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 6.85441 5.74707 8.17229 10.7974 9.68728 10.8573 7.67571 11.145 5.42649 numMergedOcc 0
86 mol 224 unq 0 iso 0 dist 9.40098 6.61986 9.54151 8.19953 8.64911 10.7113 8.37597 6.77927 4.59567 8.5129 9.51597 4.98993 12.4692 6.99977 10.1672 numMergedOcc 0
87 mol 224 unq 0 iso 1 dist 6.61986 9.40098 9.54151 8.19953 10.7113 8.64911 8.37597 4.59567 6.77927 8.5129 9.51597 12.4692 4.98993 6.99977 10.1672 numMergedOcc 0
88 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 8.24186 11.7705 5.63086 13.0974 9.81425 4.3717 4.46561 13.0631 9.68666 numMergedOcc 0
89 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 8.24186 5.63086 11.7705 13.0974 9.81425 4.46561 4.3717 13.0631 9.68666 numMergedOcc 0
90 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 8.24186 11.7705 5.6819 13.0974 9.81425 4.3717 10.641 13.0631 9.68666 numMergedOcc 0
91 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 8.24186 5.6819 11.7705 13.0974 9.81425 10.641 4.3717 13.0631 9.68666 numMergedOcc 0
92 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 8.24186 5.63086 5.6819 13.0974 9.81425 4.46561 10.641 13.0631 9.68666 numMergedOcc 0
93 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 8.24186 5.6819 5.63086 13.0974 9.81425 10.641 4.46561 13.0631 9.68666 numMergedOcc 0
94 mol 234 unq 2 iso 0 dist 8.41436 8.92474 8.62358 6.16063 11.3297 10.2563 9.007 8.16888 5.3211 7.54397 6.30154 7.44558 10.9712 5.70413 7.82953 numMergedOcc 0
95 mol 234 unq 2 iso 1 dist 8.92474 8.41436 8.62358 6.16063 10.2563 11.3297 9.007 5.3211 8.16888 7.54397 6.30154 10.9712 7.44558 5.70413 7.82953 numMergedOcc 0
96 mol 234 unq 3 iso 0 dist 8.41436 8.92474 8.62358 6.16063 11.3297 10.2563 9.007 8.16888 5.3211 7.54397 7.32499 10.7902 4.4288 7.17691 5.76537 numMergedOcc 0
97 mol 234 unq 3 iso 1 dist 8.92474 8.41436 8.62358 6.16063 10.2563 11.3297 9.007 5.3211 8.16888 7.54397 7.32499 4.4288 10.7902 7.17691 5.76537 numMergedOcc 0
