REMARK Name = BDB064092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.716 -0.438 -0.111 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.310 0.754 0.484 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.822 0.817 1.201 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.067 1.911 0.334 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.258 1.873 -0.395 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.710 0.671 -0.963 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.922 -0.482 -0.825 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.516 -1.793 0.266 0.00 0.00 +0.200 A ATOM 9 N LIG 1 -4.190 -1.607 0.003 0.00 0.00 -0.306 N ATOM 10 C LIG 1 -3.497 -0.424 -0.452 0.00 0.00 +0.144 C ATOM 11 C LIG 1 -2.132 -0.792 -1.027 0.00 0.00 +0.130 C ATOM 12 N LIG 1 -1.417 -1.718 -0.140 0.00 0.00 -0.288 N ATOM 13 C LIG 1 -2.094 -2.990 0.136 0.00 0.00 +0.184 C ATOM 14 C LIG 1 -0.040 -1.692 0.071 0.00 0.00 +0.250 C ATOM 15 O LIG 1 0.602 -2.686 0.406 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -3.563 -2.796 0.278 0.00 0.00 +0.151 A ATOM 17 N LIG 1 -4.469 -3.678 0.640 0.00 0.00 -0.132 NA ATOM 18 N LIG 1 -5.695 -3.048 0.633 0.00 0.00 -0.126 NA BRANCH 8 22 ATOM 19 C LIG 1 -7.505 2.583 -0.471 0.00 0.00 +0.086 C ATOM 20 C LIG 1 -7.530 1.145 -0.140 0.00 0.00 +0.103 A ATOM 21 O LIG 1 -6.331 0.501 -0.157 0.00 0.00 -0.457 OA ATOM 22 C LIG 1 -6.551 -0.813 0.176 0.00 0.00 +0.172 A ATOM 23 C LIG 1 -7.907 -0.984 0.403 0.00 0.00 +0.053 A ATOM 24 C LIG 1 -8.534 0.268 0.199 0.00 0.00 +0.045 A ENDBRANCH 8 22 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 4.009 0.617 -1.738 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 5.189 1.218 -0.985 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.852 0.451 0.101 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.915 1.069 0.757 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.592 0.416 1.795 0.00 0.00 +0.014 A ATOM 30 C LIG 1 7.199 -0.865 2.178 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.137 -1.490 1.526 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.323 2.422 0.347 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.254 3.004 0.894 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.604 2.986 -0.677 0.00 0.00 -0.242 N ATOM 35 H LIG 1 6.876 3.918 -0.974 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 5.463 -0.837 0.489 0.00 0.00 +0.010 A ATOM 37 N LIG 1 5.561 2.416 -1.335 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4