REMARK Name = BDB065305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.196 -0.469 1.629 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.021 0.266 1.432 0.00 0.00 +0.026 A ATOM 3 C LIG 1 1.053 0.107 2.313 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.945 -0.753 3.410 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.221 -1.494 3.600 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.288 -1.362 2.706 0.00 0.00 +0.013 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.296 0.893 2.142 0.00 0.00 +0.247 C ATOM 8 N LIG 1 2.956 0.856 0.913 0.00 0.00 -0.297 N ATOM 9 C LIG 1 4.142 1.698 0.754 0.00 0.00 +0.110 C ATOM 10 C LIG 1 4.375 2.092 -0.701 0.00 0.00 +0.041 C ATOM 11 C LIG 1 4.383 0.880 -1.644 0.00 0.00 +0.076 C ATOM 12 C LIG 1 3.951 -0.427 -0.974 0.00 0.00 +0.041 C ATOM 13 C LIG 1 2.729 -0.183 -0.095 0.00 0.00 +0.110 C ATOM 14 O LIG 1 2.686 1.547 3.106 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 N LIG 1 5.628 0.744 -2.395 0.00 0.00 -0.311 N ATOM 16 H LIG 1 5.563 0.210 -3.256 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 6.795 0.349 -1.778 0.00 0.00 +0.215 A ATOM 18 N LIG 1 7.646 -0.341 -2.553 0.00 0.00 -0.220 NA ATOM 19 C LIG 1 8.810 -0.733 -1.989 0.00 0.00 +0.154 A ATOM 20 C LIG 1 9.141 -0.466 -0.687 0.00 0.00 +0.160 A ATOM 21 F LIG 1 10.298 -0.866 -0.151 0.00 0.00 -0.202 F ATOM 22 C LIG 1 8.208 0.234 0.030 0.00 0.00 +0.154 A ATOM 23 N LIG 1 7.032 0.647 -0.491 0.00 0.00 -0.220 NA ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 3 7 BRANCH 1 26 ATOM 24 N LIG 1 -3.575 -0.476 1.142 0.00 0.00 -0.252 N ATOM 25 H LIG 1 -3.767 -0.655 2.118 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -2.303 -0.292 0.650 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -2.035 0.016 -0.510 0.00 0.00 -0.270 OA BRANCH 24 33 ATOM 28 C LIG 1 -8.129 -0.419 -0.460 0.00 0.00 +0.064 A ATOM 29 C LIG 1 -6.730 -0.365 -0.318 0.00 0.00 +0.103 A ATOM 30 C LIG 1 -5.958 -0.075 -1.445 0.00 0.00 +0.068 A ATOM 31 N LIG 1 -4.666 -0.097 -0.988 0.00 0.00 -0.326 N ATOM 32 H LIG 1 -3.818 0.066 -1.516 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -4.690 -0.371 0.353 0.00 0.00 +0.201 A ATOM 34 C LIG 1 -6.496 0.166 -2.711 0.00 0.00 +0.028 A ATOM 35 C LIG 1 -7.888 0.106 -2.831 0.00 0.00 +0.003 A ATOM 36 N LIG 1 -5.916 -0.523 0.787 0.00 0.00 -0.214 NA ATOM 37 C LIG 1 -8.696 -0.183 -1.728 0.00 0.00 +0.015 A BRANCH 28 41 ATOM 38 N LIG 1 -10.150 -0.021 0.803 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -10.269 0.854 0.313 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -10.660 -0.147 1.668 0.00 0.00 +0.145 HD ATOM 41 C LIG 1 -8.988 -0.742 0.697 0.00 0.00 +0.244 C ATOM 42 O LIG 1 -8.708 -1.599 1.522 0.00 0.00 -0.270 OA ENDBRANCH 28 41 ENDBRANCH 24 33 ENDBRANCH 1 26 TORSDOF 6