0 mol 54 unq 0 iso 0 dist 7.51978 13.323 6.59893 10.6355 9.5589 11.9881 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 13.323 6.59893 6.43082 6.83299 10.3564 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.51978 13.323 6.59893 11.7347 8.10861 12.4254 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 7.51978 10.6593 5.59773 10.6355 9.5589 13.9079 numMergedOcc 0
4 mol 54 unq 4 iso 0 dist 7.51978 10.6593 5.59773 6.43082 6.83299 10.4238 numMergedOcc 0
5 mol 54 unq 5 iso 0 dist 7.51978 10.6593 5.59773 11.7347 8.10861 10.1356 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.89394 5.73112 4.98104 6.80709 7.4729 10.7572 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 5.89394 5.73112 4.98104 6.20561 6.82344 5.50764 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.65229 12.9793 6.85381 5.43987 9.60462 12.5148 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 7.65229 12.9793 6.85381 9.7695 7.45389 6.38057 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.87387 5.6579 8.42445 6.4595 7.5732 7.18757 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 9.41387 10.6263 7.70533 6.54872 9.84395 6.29427 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 9.41387 10.6263 7.70533 9.3855 7.90328 14.3476 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.59784 6.69727 9.42766 9.70986 8.73993 14.0677 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 5.09114 12.2043 8.33083 6.01457 8.37808 12.4383 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 8.38646 9.972 8.84867 6.5815 8.62381 5.41246 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.07676 5.90964 7.44191 6.05039 8.03334 9.60754 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.07676 6.18164 6.00053 6.05039 8.03334 11.1879 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 6.83122 12.2514 8.49704 9.3424 9.65138 12.4611 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 6.83122 12.2514 8.49704 12.2622 7.14453 11.832 numMergedOcc 0
20 mol 214 unq 2 iso 0 dist 6.83122 12.2514 8.49704 6.75833 8.85478 10.644 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.93637 15.653 9.8711 14.8074 9.23153 4.90657 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.82174 10.7991 9.75174 10.4397 6.57393 13.477 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.13194 8.83643 9.31417 9.05069 5.72887 6.62361 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 7.13194 4.55701 5.56719 9.05069 5.72887 5.96552 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 7.80166 11.1397 9.31417 6.77788 5.72887 6.62361 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 7.80166 8.53461 5.56719 6.77788 5.72887 5.96552 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 6.42827 6.06312 7.29898 8.22485 7.57994 6.6173 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 6.42827 6.06312 7.29898 6.77698 6.18582 8.95486 numMergedOcc 0
29 mol 249 unq 2 iso 0 dist 6.42827 10.3054 8.91685 8.22485 7.57994 5.25611 numMergedOcc 0
30 mol 249 unq 3 iso 0 dist 6.42827 10.3054 8.91685 6.77698 6.18582 9.66184 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 9.78185 11.3788 9.73021 17.5012 8.33025 16.5881 numMergedOcc 0
32 mol 252 unq 1 iso 0 dist 9.78185 11.3788 9.73021 16.8096 9.2288 12.5855 numMergedOcc 0
33 mol 252 unq 2 iso 0 dist 9.78185 11.3788 9.73021 6.79692 7.19638 5.26867 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 5.76077 8.19585 7.7993 9.0081 9.02271 13.0587 numMergedOcc 0
35 mol 253 unq 1 iso 0 dist 5.76077 6.8205 6.10761 9.0081 9.02271 4.70422 numMergedOcc 0
36 mol 253 unq 2 iso 0 dist 7.0247 14.4438 7.7993 10.9027 9.02271 13.0587 numMergedOcc 0
37 mol 253 unq 3 iso 0 dist 7.0247 10.5134 6.10761 10.9027 9.02271 4.70422 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.47382 12.8835 7.93997 13.8605 7.46176 14.8465 numMergedOcc 0
39 mol 272 unq 0 iso 0 dist 7.22438 9.38576 6.94346 10.3544 8.33638 9.58279 numMergedOcc 0
40 mol 272 unq 1 iso 0 dist 7.66615 14.8394 9.1118 11.4664 9.97651 11.082 numMergedOcc 0
41 mol 272 unq 2 iso 0 dist 7.66615 14.8394 9.1118 10.3544 8.46116 6.72149 numMergedOcc 0
42 mol 279 unq 0 iso 0 dist 8.27977 14.4082 8.13489 13.1217 9.70696 5.51096 numMergedOcc 0
