REMARK Name = BDB024307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.399 -2.756 0.482 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.254 -4.254 0.262 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.135 -5.143 0.900 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.036 -6.519 0.687 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.064 -7.023 -0.175 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.187 -6.154 -0.820 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.281 -4.777 -0.607 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.283 -1.129 -0.190 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.418 -1.052 -0.921 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.040 -2.054 0.786 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.611 -2.329 1.790 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.224 1.811 -0.092 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.062 0.873 0.921 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.130 -0.111 0.913 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.307 -0.188 -0.145 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -1.399 0.698 -1.215 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -2.367 1.704 -1.188 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -5.619 6.128 -0.557 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -5.277 4.767 -0.223 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -6.134 4.022 0.497 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -5.497 2.855 0.634 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -4.234 2.844 -0.006 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -4.125 4.111 -0.548 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 2.050 -2.109 -0.705 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.004 -2.785 -1.474 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.467 -1.797 -0.471 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.753 -0.666 0.540 0.00 0.00 +0.051 C BRANCH 27 28 ATOM 28 C LIG 1 2.933 0.602 0.373 0.00 0.00 -0.034 A ATOM 29 C LIG 1 3.075 1.491 -0.718 0.00 0.00 +0.059 A ATOM 30 C LIG 1 2.224 2.619 -0.793 0.00 0.00 +0.031 A ATOM 31 C LIG 1 1.265 2.879 0.192 0.00 0.00 +0.052 A ATOM 32 C LIG 1 1.154 2.019 1.280 0.00 0.00 +0.019 A ATOM 33 C LIG 1 1.984 0.899 1.372 0.00 0.00 +0.005 A BRANCH 29 34 ATOM 34 C LIG 1 4.058 1.278 -1.851 0.00 0.00 +0.418 C ATOM 35 F LIG 1 3.522 0.528 -2.855 0.00 0.00 -0.166 F ATOM 36 F LIG 1 5.211 0.657 -1.488 0.00 0.00 -0.166 F ATOM 37 F LIG 1 4.448 2.448 -2.435 0.00 0.00 -0.166 F ENDBRANCH 29 34 BRANCH 31 38 ATOM 38 C LIG 1 0.400 4.017 0.066 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -0.290 4.940 -0.069 0.00 0.00 -0.191 NA ENDBRANCH 31 38 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10