0 mol 16 unq 0 iso 0 dist 9.76968 8.55371 5.47769 8.8641 6.92781 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.76968 8.55371 5.47769 13.862 5.32694 6.58035 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.88695 6.66387 9.16962 14.5062 13.2136 8.82012 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 9.01612 5.35073 8.63333 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 4.88613 9.80755 8.89374 10.3132 8.62958 6.46761 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 4.88613 9.80755 8.89374 16.5848 14.176 9.73139 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.99491 6.84612 8.68586 13.8335 10.6748 9.54144 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.2377 12.6436 5.64598 14.7651 7.4697 8.70133 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.2377 12.6436 5.64598 12.864 5.7113 4.65521 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.18305 4.31731 4.65521 11.0671 5.4148 8.70133 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 6.18305 4.31731 4.65521 9.43662 5.7113 5.64598 numMergedOcc 0
11 mol 75 unq 0 iso 0 dist 6.95595 8.91765 5.15851 14.747 9.02771 6.33365 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.58841 13.8628 8.19682 17.86 10.2879 6.21982 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 9.44078 9.76996 8.39016 14.6132 7.60026 6.99355 numMergedOcc 0
14 mol 90 unq 1 iso 0 dist 5.9179 4.97513 8.39016 9.34782 7.60026 6.99355 numMergedOcc 0
15 mol 90 unq 2 iso 0 dist 9.34782 4.97513 6.99355 5.9179 7.60026 8.39016 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.3164 5.49138 5.87358 11.4135 4.98336 9.20981 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 9.44713 9.39191 8.68821 14.3625 8.66412 7.12609 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.02717 9.81097 8.66155 12.5189 7.69052 9.66954 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 11.7745 11.6667 9.63176 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 7.91337 6.02826 7.39889 13.3911 11.3169 7.44174 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 8.32241 4.56139 7.75534 11.9998 7.12167 9.06011 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 5.49877 6.53156 6.89257 10.792 6.83397 6.79146 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 5.49877 6.53156 6.89257 9.72083 7.50049 7.66168 numMergedOcc 0
24 mol 130 unq 2 iso 0 dist 5.49877 4.72188 8.74308 9.72083 7.50049 9.12581 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 7.81337 6.25099 6.91348 10.4432 6.63273 8.6243 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.92932 6.27009 8.79571 9.60411 5.49782 5.42582 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 9.92932 6.27009 8.79571 14.0674 8.80819 8.6355 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 9.60411 6.27009 5.42582 9.92932 5.49782 8.79571 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 9.60411 6.27009 5.42582 14.0674 5.00817 8.6355 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 9.55556 10.2625 8.79571 12.1043 5.49782 5.42582 numMergedOcc 0
31 mol 134 unq 5 iso 0 dist 9.55556 10.2625 8.79571 16.0579 8.80819 8.6355 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 6.7973 5.10076 7.16254 10.6879 5.71071 9.14392 numMergedOcc 0
33 mol 155 unq 1 iso 0 dist 6.7973 9.64056 9.86313 10.6879 5.71071 7.51198 numMergedOcc 0
34 mol 155 unq 2 iso 0 dist 4.44292 4.40049 7.39644 10.6076 10.7616 7.36102 numMergedOcc 0
35 mol 155 unq 3 iso 0 dist 4.44292 6.61119 7.70572 10.449 7.01918 8.65888 numMergedOcc 0
36 mol 183 unq 0 iso 0 dist 5.83071 9.81014 9.93083 10.342 6.64382 7.01383 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 8.5119 11.711 7.17547 13.3259 7.83217 7.13323 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.70279 6.17401 7.07392 12.1893 4.96364 9.62952 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 7.86368 15.442 7.85175 12.3151 5.88703 6.25105 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 9.11256 14.9183 9.58736 12.8963 9.85037 9.43058 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 9.11256 14.9183 9.58736 17.4969 13.6669 8.75735 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 9.11256 14.9183 9.58736 20.3048 16.4493 6.98084 numMergedOcc 0
43 mol 235 unq 3 iso 0 dist 9.11256 14.9183 9.58736 22.1086 15.4 7.32211 numMergedOcc 0
44 mol 235 unq 4 iso 0 dist 7.08539 4.28284 9.58736 11.3151 9.85037 9.43058 numMergedOcc 0
45 mol 235 unq 5 iso 0 dist 7.08539 4.28284 9.58736 12.206 13.6669 8.75735 numMergedOcc 0
46 mol 235 unq 6 iso 0 dist 7.08539 4.28284 9.58736 10.3464 16.4493 6.98084 numMergedOcc 0
47 mol 235 unq 7 iso 0 dist 7.08539 4.28284 9.58736 9.4144 15.4 7.32211 numMergedOcc 0
48 mol 236 unq 0 iso 0 dist 8.90987 14.3961 7.17676 11.2664 7.28249 5.34718 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 9.13537 6.16476 5.38637 9.01016 5.42006 6.55759 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 9.32451 4.81145 6.05141 11.5933 5.6348 8.09066 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 9.32451 4.81145 6.05141 10.7555 8.87326 7.2766 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 9.66555 8.92175 7.49471 11.6545 5.34096 7.19008 numMergedOcc 0
53 mol 238 unq 4 iso 0 dist 8.67205 5.94371 7.49471 11.1363 5.34096 7.19008 numMergedOcc 0
54 mol 249 unq 0 iso 0 dist 6.37672 10.4294 8.83735 12.8391 8.34718 8.96876 numMergedOcc 0
55 mol 249 unq 1 iso 0 dist 8.94023 9.10124 8.83735 12.9036 8.34718 8.96876 numMergedOcc 0
56 mol 256 unq 0 iso 0 dist 7.67598 9.40096 5.24676 16.8309 9.92128 8.09363 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 10.5892 12.5353 7.48005 numMergedOcc 0
58 mol 272 unq 0 iso 0 dist 9.96394 5.98845 6.73206 13.3211 5.40809 9.09992 numMergedOcc 0
59 mol 293 unq 0 iso 0 dist 9.55282 4.37303 9.47908 6.27435 10.9721 8.56847 numMergedOcc 0
60 mol 293 unq 1 iso 0 dist 6.27435 4.37303 8.56847 9.55282 10.9721 9.47908 numMergedOcc 0
