REMARK Name = BDB035469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.301 0.970 -1.180 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.417 0.538 -0.059 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.073 -0.093 0.923 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.793 1.027 -0.220 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.880 0.841 0.614 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.102 1.420 0.243 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.189 2.154 -0.965 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.071 2.335 -1.802 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.871 1.754 -1.401 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.532 1.771 -2.065 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.783 -0.481 -0.959 0.00 0.00 -0.006 A ATOM 12 C LIG 1 -2.416 -0.209 -0.705 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.667 0.698 -1.468 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.308 1.330 -2.541 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.653 1.081 -2.821 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.383 0.191 -2.036 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -4.567 -1.475 -0.065 0.00 0.00 +0.156 C BRANCH 17 18 ATOM 18 C LIG 1 -5.654 -2.202 -0.868 0.00 0.00 +0.170 A ATOM 19 N LIG 1 -7.010 -1.950 -0.928 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -7.793 -0.909 -0.322 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -7.541 -2.887 -1.767 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -6.593 -3.660 -2.227 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.415 -3.225 -1.681 0.00 0.00 -0.131 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.045 -0.765 1.233 0.00 0.00 +0.033 C ATOM 25 C LIG 1 -5.525 0.722 1.265 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -4.220 1.117 1.965 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.004 -0.356 2.325 0.00 0.00 +0.007 C ENDBRANCH 17 24 BRANCH 17 29 ATOM 28 C LIG 1 -4.042 -3.547 1.157 0.00 0.00 +0.195 C ATOM 29 O LIG 1 -3.600 -2.495 0.311 0.00 0.00 -0.364 OA ENDBRANCH 17 29 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.160 3.117 -3.085 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.268 4.144 -3.126 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.383 3.672 -3.305 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.891 2.350 -4.177 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.327 1.225 1.112 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.907 -0.097 0.880 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.984 -0.249 -0.125 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.165 -0.294 1.620 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.320 0.478 0.923 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.152 -0.819 1.000 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.821 -1.598 1.071 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.038 -0.226 3.131 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9