REMARK Name = BDB037343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.914 0.418 -0.144 0.00 0.00 +0.154 A ATOM 2 C LIG 1 -1.139 -0.249 0.844 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -0.298 0.124 2.022 0.00 0.00 +0.085 C ATOM 4 C LIG 1 1.099 -0.477 1.788 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.965 -2.018 1.615 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.126 -2.506 0.841 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.870 -2.761 2.006 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.094 -1.570 0.421 0.00 0.00 +0.137 A ATOM 9 N LIG 1 -2.136 -1.679 -0.494 0.00 0.00 -0.216 N ATOM 10 N LIG 1 -2.393 -0.460 -1.023 0.00 0.00 -0.149 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -0.458 1.595 2.350 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.625 2.013 3.029 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.838 3.358 3.337 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.882 4.299 2.985 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.087 5.591 3.272 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.283 3.916 2.336 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.498 2.570 2.025 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -2.973 -2.769 -0.842 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.211 -3.808 0.065 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.059 -4.861 -0.284 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.691 -4.867 -1.527 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.492 -3.813 -2.416 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.646 -2.758 -2.072 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 1 25 ATOM 24 C LIG 1 -2.837 2.412 -1.225 0.00 0.00 +0.294 C ATOM 25 N LIG 1 -2.112 1.777 -0.248 0.00 0.00 -0.258 N ATOM 26 H LIG 1 -1.695 2.368 0.453 0.00 0.00 +0.157 HD ATOM 27 O LIG 1 -3.423 1.940 -2.186 0.00 0.00 -0.260 OA BRANCH 24 30 ATOM 28 C LIG 1 -2.914 6.486 -0.641 0.00 0.00 +0.106 C ATOM 29 C LIG 1 -2.891 5.040 -0.863 0.00 0.00 -0.096 C ATOM 30 C LIG 1 -2.875 3.852 -1.042 0.00 0.00 -0.008 C ENDBRANCH 24 30 ENDBRANCH 1 25 BRANCH 4 31 ATOM 31 N LIG 1 1.778 0.000 0.567 0.00 0.00 -0.299 N ATOM 32 H LIG 1 1.371 -0.294 -0.313 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 3.122 0.304 0.575 0.00 0.00 +0.245 C ATOM 34 O LIG 1 3.781 0.415 1.601 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 3.766 0.502 -0.753 0.00 0.00 +0.037 A ATOM 36 C LIG 1 5.144 0.267 -0.863 0.00 0.00 +0.025 A ATOM 37 C LIG 1 5.806 0.443 -2.089 0.00 0.00 +0.056 A ATOM 38 C LIG 1 5.063 0.852 -3.207 0.00 0.00 +0.012 A ATOM 39 C LIG 1 3.694 1.102 -3.098 0.00 0.00 +0.001 A ATOM 40 C LIG 1 3.045 0.933 -1.874 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 7.284 0.159 -2.205 0.00 0.00 +0.417 C ATOM 42 F LIG 1 7.984 0.511 -1.092 0.00 0.00 -0.166 F ATOM 43 F LIG 1 7.876 0.820 -3.240 0.00 0.00 -0.166 F ATOM 44 F LIG 1 7.540 -1.162 -2.410 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 4 31 BRANCH 6 45 ATOM 45 C LIG 1 0.040 -3.859 0.302 0.00 0.00 +0.112 C ATOM 46 C LIG 1 -0.140 -4.958 1.343 0.00 0.00 +0.025 C ENDBRANCH 6 45 TORSDOF 8