REMARK Name = BDB024263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.115 -1.228 -0.098 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.812 -2.569 -0.270 0.00 0.00 -0.020 A ATOM 3 C LIG 1 -1.993 -3.143 -1.540 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.628 -4.378 -1.673 0.00 0.00 +0.041 A ATOM 5 CL LIG 1 -2.854 -5.059 -3.237 0.00 0.00 -0.084 Cl ATOM 6 C LIG 1 -3.084 -5.063 -0.549 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -2.898 -4.513 0.718 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.264 -3.276 0.858 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 1.054 -0.164 0.199 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.483 0.637 0.433 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 0.440 -1.367 -0.108 0.00 0.00 +0.240 C ATOM 12 O LIG 1 1.029 -2.416 -0.348 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 5.051 0.949 0.478 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.963 1.782 0.717 0.00 0.00 +0.121 A ATOM 15 N LIG 1 2.662 1.403 0.623 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.414 0.124 0.272 0.00 0.00 +0.125 A ATOM 17 C LIG 1 3.427 -0.785 0.011 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.756 -0.366 0.118 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.967 1.461 -0.018 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.590 1.645 0.369 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.260 2.663 1.181 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.939 2.534 1.325 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.412 1.434 0.607 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.521 0.881 -0.004 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -1.516 -0.248 -1.142 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -0.713 0.322 -1.406 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.618 0.633 -0.739 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.978 -0.067 -0.599 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.084 0.927 -0.327 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.411 1.285 0.988 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.423 2.216 1.237 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.115 2.801 0.173 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.791 2.451 -1.141 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.779 1.520 -1.389 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -8.153 3.756 0.428 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.991 4.532 0.638 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9