0 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 13.9129 19.1124 8.80331 12.664 19.8233 9.83618 10.4442 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.19567 8.90024 14.2671 5.84171 11.7216 6.20293 12.664 19.8233 9.83618 9.49077 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.34433 8.90024 12.0037 13.9129 19.9708 8.80331 12.664 15.1871 9.83618 10.4442 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 9.34433 8.90024 12.0037 5.84171 13.3384 6.20293 12.664 15.1871 9.83618 9.49077 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 7.62418 9.59947 6.65721 5.31827 10.6661 8.76003 5.83489 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 6.53977 12.3891 6.72123 5.31827 10.6661 8.76003 7.39396 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 8.78888 9.49626 9.44493 15.643 18.6344 9.65964 16.9284 16.7157 7.92394 6.65811 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 8.78888 9.49626 9.44493 15.643 18.6344 9.65964 17.8674 19.3163 9.93423 5.47516 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 8.78888 9.49626 9.44493 15.643 18.6344 9.65964 8.9375 15.129 9.34122 11.0952 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.06901 5.48831 5.86484 13.0773 13.6843 9.96708 5.94737 11.6281 7.321 9.0131 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 8.06901 5.48831 5.86484 10.5933 15.4072 9.78528 5.94737 11.6281 7.321 6.11922 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 8.90571 13.5476 7.36792 6.87786 14.1142 9.94856 5.498 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 8.90571 9.0361 7.36792 6.87786 6.793 9.94856 5.498 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 6.49725 9.24515 7.5732 11.3386 11.3006 8.71128 5.80557 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 4.82909 6.09472 4.99221 10.0279 8.81198 6.50039 5.60178 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.91786 8.64107 7.09627 4.82909 6.20658 4.99221 10.0279 11.3523 6.50039 5.60178 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.7402 8.84656 8.44345 10.879 13.403 6.37586 13.386 13.1565 5.42582 5.41704 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 6.7402 8.84656 8.44345 16.7911 18.124 9.71307 13.386 13.1565 5.42582 6.17103 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 6.7402 4.9155 7.46245 9.30817 13.9196 6.54501 13.386 13.1565 8.6355 10.1448 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 6.7402 4.9155 7.46245 10.879 13.403 6.49416 13.386 13.1565 8.6355 5.41704 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 14.4072 18.3231 6.69288 11.7065 19.3356 8.96511 10.5783 numMergedOcc 0
21 mol 178 unq 1 iso 0 dist 9.3355 8.04723 13.6129 13.0519 19.4581 6.43573 11.7065 19.3356 8.96511 5.96647 numMergedOcc 0
22 mol 178 unq 2 iso 0 dist 9.3355 8.04723 13.6129 10.5681 17.5964 7.17202 11.7065 19.3356 8.96511 12.075 numMergedOcc 0
23 mol 178 unq 3 iso 0 dist 9.3355 8.04723 13.6129 9.1499 17.9703 8.81551 11.7065 19.3356 8.96511 9.92132 numMergedOcc 0
24 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 5.35615 11.2774 7.56373 10.2593 11.0654 7.95911 7.19056 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 4.63237 11.3146 9.14619 9.66751 13.5663 7.47164 7.49174 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 6.39263 8.50313 8.45658 9.66751 13.5663 7.47164 5.22253 numMergedOcc 0
27 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 4.63237 13.063 9.14619 9.66751 12.6505 7.47164 7.49174 numMergedOcc 0
28 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 6.39263 7.6414 8.45658 9.66751 12.6505 7.47164 5.22253 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 12.8387 11.9787 8.44326 7.70648 8.56781 6.35287 6.07447 numMergedOcc 0
30 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 12.8387 15.1476 8.44326 7.70648 9.95186 6.35287 6.07447 numMergedOcc 0
31 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 12.8387 22.2099 8.44326 7.70648 16.4732 6.35287 6.07447 numMergedOcc 0
