REMARK Name = BDB035303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.470 -1.042 0.305 0.00 0.00 +0.050 A ATOM 2 C LIG 1 2.365 -2.130 0.250 0.00 0.00 +0.030 A ATOM 3 C LIG 1 3.745 -2.010 0.506 0.00 0.00 -0.042 A ATOM 4 C LIG 1 4.218 -0.727 0.823 0.00 0.00 +0.012 A ATOM 5 C LIG 1 3.376 0.394 0.873 0.00 0.00 -0.015 A ATOM 6 C LIG 1 2.006 0.214 0.617 0.00 0.00 +0.034 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 -4.289 -0.539 -1.097 0.00 0.00 +0.122 A ATOM 8 N LIG 1 -3.154 0.247 -1.127 0.00 0.00 -0.337 N ATOM 9 H LIG 1 -3.094 1.211 -1.426 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -2.120 -0.508 -0.654 0.00 0.00 +0.132 A ATOM 11 C LIG 1 -2.673 -1.726 -0.390 0.00 0.00 +0.099 A ATOM 12 C LIG 1 -1.859 -2.772 0.123 0.00 0.00 -0.000 A ATOM 13 C LIG 1 -0.553 -2.489 0.339 0.00 0.00 +0.101 A ATOM 14 N LIG 1 0.053 -1.238 0.064 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -0.741 -0.163 -0.463 0.00 0.00 +0.281 A ATOM 16 O LIG 1 -0.347 0.959 -0.766 0.00 0.00 -0.265 OA ATOM 17 N LIG 1 -4.006 -1.758 -0.658 0.00 0.00 -0.231 NA BRANCH 12 18 ATOM 18 C LIG 1 -2.515 -4.053 0.436 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -3.009 -4.923 -0.695 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -1.833 -5.364 0.122 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 -5.624 -0.027 -1.555 0.00 0.00 +0.158 C BRANCH 21 25 ATOM 22 C LIG 1 -6.131 3.853 1.513 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -6.821 2.679 0.822 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -5.808 1.789 0.087 0.00 0.00 +0.088 C ATOM 25 N LIG 1 -6.425 0.579 -0.477 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 -7.828 0.758 -0.875 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -8.165 2.189 -1.285 0.00 0.00 +0.016 C ATOM 28 C LIG 1 -7.903 3.177 -0.149 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 3.908 1.725 1.211 0.00 0.00 -0.006 A ATOM 30 C LIG 1 4.815 2.429 0.389 0.00 0.00 +0.047 A ATOM 31 C LIG 1 5.300 3.691 0.759 0.00 0.00 +0.052 A ATOM 32 C LIG 1 4.891 4.252 1.959 0.00 0.00 +0.124 A ATOM 33 F LIG 1 5.358 5.455 2.317 0.00 0.00 -0.205 F ATOM 34 C LIG 1 4.006 3.585 2.795 0.00 0.00 +0.039 A ATOM 35 C LIG 1 3.516 2.331 2.422 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 5.254 1.882 -0.917 0.00 0.00 +0.247 C ATOM 37 N LIG 1 6.609 1.702 -1.080 0.00 0.00 -0.292 N ATOM 38 C LIG 1 7.642 1.443 -0.086 0.00 0.00 +0.146 C ATOM 39 C LIG 1 8.507 0.912 -1.242 0.00 0.00 +0.200 C ATOM 40 F LIG 1 9.149 -0.258 -1.015 0.00 0.00 -0.242 F ATOM 41 C LIG 1 7.222 0.835 -2.081 0.00 0.00 +0.146 C ATOM 42 O LIG 1 4.432 1.644 -1.793 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 43 ATOM 43 C LIG 1 4.719 -3.175 0.443 0.00 0.00 +0.019 C ATOM 44 C LIG 1 4.294 -4.586 0.767 0.00 0.00 +0.009 C ATOM 45 C LIG 1 4.615 -4.210 -0.652 0.00 0.00 +0.009 C ENDBRANCH 3 43 TORSDOF 7