REMARK Name = BDB024408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.864 -1.054 1.780 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.198 -0.754 3.232 0.00 0.00 -0.019 A ATOM 3 C LIG 1 -3.863 -1.716 4.009 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -4.161 -1.451 5.342 0.00 0.00 +0.124 A ATOM 5 F LIG 1 -4.802 -2.377 6.068 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -3.807 -0.245 5.933 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -3.139 0.716 5.178 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.835 0.463 3.837 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 -0.615 -0.303 1.187 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.133 0.547 0.991 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -1.347 -1.379 1.640 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -0.901 -2.487 1.927 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 3.456 0.212 0.392 0.00 0.00 +0.048 A ATOM 14 C LIG 1 2.451 1.171 0.220 0.00 0.00 +0.136 A ATOM 15 N LIG 1 1.129 0.998 0.476 0.00 0.00 -0.238 NA ATOM 16 C LIG 1 0.750 -0.204 0.949 0.00 0.00 +0.125 A ATOM 17 C LIG 1 1.654 -1.229 1.167 0.00 0.00 +0.045 A ATOM 18 C LIG 1 3.009 -1.014 0.885 0.00 0.00 +0.028 A BRANCH 13 24 ATOM 19 C LIG 1 8.591 -0.228 -3.454 0.00 0.00 +0.109 C ATOM 20 C LIG 1 8.020 -1.064 -2.337 0.00 0.00 +0.213 C ATOM 21 N LIG 1 7.027 -0.490 -1.563 0.00 0.00 -0.299 N ATOM 22 C LIG 1 6.464 0.851 -1.767 0.00 0.00 +0.126 C ATOM 23 C LIG 1 4.994 0.956 -1.314 0.00 0.00 +0.124 C ATOM 24 N LIG 1 4.790 0.494 0.083 0.00 0.00 -0.326 N ATOM 25 C LIG 1 5.877 -0.336 0.644 0.00 0.00 +0.124 C ATOM 26 C LIG 1 6.502 -1.248 -0.421 0.00 0.00 +0.126 C ATOM 27 O LIG 1 8.431 -2.207 -2.142 0.00 0.00 -0.276 OA ENDBRANCH 13 24 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 28 ATOM 28 N LIG 1 -3.225 0.057 0.850 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -2.906 -0.218 -0.084 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.685 0.250 0.768 0.00 0.00 +0.089 C BRANCH 30 31 ATOM 31 C LIG 1 -5.053 1.336 -0.274 0.00 0.00 +0.030 C ATOM 32 C LIG 1 -6.558 1.624 -0.235 0.00 0.00 +0.014 C BRANCH 31 33 ATOM 33 C LIG 1 -4.601 0.973 -1.683 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -3.601 1.736 -2.307 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.155 1.415 -3.591 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -3.701 0.325 -4.272 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -4.695 -0.444 -3.659 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -5.141 -0.123 -2.374 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -3.244 -0.004 -5.590 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -2.874 -0.271 -6.657 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 9