REMARK Name = BDB009385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.102 -0.456 -1.244 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.696 -0.847 -2.440 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.160 -1.818 -3.193 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.869 -0.238 -2.874 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.467 0.754 -2.093 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.905 1.132 -0.863 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.709 0.526 -0.450 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 3.865 -1.083 -2.903 0.00 0.00 -0.174 NA ATOM 9 C LIG 1 3.403 -2.271 -2.129 0.00 0.00 +0.128 C ATOM 10 C LIG 1 2.420 -1.887 -1.018 0.00 0.00 +0.125 C ATOM 11 N LIG 1 1.263 -1.143 -1.520 0.00 0.00 -0.295 N ATOM 12 C LIG 1 0.115 -1.114 -0.738 0.00 0.00 +0.249 C ATOM 13 O LIG 1 0.063 -1.591 0.395 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.471 -0.376 -2.756 0.00 0.00 +0.125 C ATOM 15 C LIG 1 2.931 0.075 -2.914 0.00 0.00 +0.128 C BRANCH 8 16 ATOM 16 S LIG 1 5.523 -0.739 -2.921 0.00 0.00 +0.061 S ATOM 17 O LIG 1 5.734 0.384 -3.811 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 6.239 -1.984 -3.100 0.00 0.00 -0.153 OA BRANCH 16 22 ATOM 19 C LIG 1 6.402 0.714 1.331 0.00 0.00 +0.120 A ATOM 20 C LIG 1 6.039 1.624 0.332 0.00 0.00 +0.047 A ATOM 21 C LIG 1 5.770 1.189 -0.967 0.00 0.00 +0.032 A ATOM 22 C LIG 1 5.844 -0.173 -1.262 0.00 0.00 +0.106 A ATOM 23 C LIG 1 6.235 -1.088 -0.280 0.00 0.00 +0.032 A ATOM 24 C LIG 1 6.504 -0.643 1.019 0.00 0.00 +0.047 A BRANCH 19 26 ATOM 25 C LIG 1 7.028 0.402 3.604 0.00 0.00 +0.277 C ATOM 26 O LIG 1 6.634 1.278 2.555 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 16 22 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 6 27 ATOM 27 C LIG 1 -3.561 2.190 -0.003 0.00 0.00 +0.094 C BRANCH 27 28 ATOM 28 C LIG 1 -5.017 1.882 0.324 0.00 0.00 +0.087 A ATOM 29 C LIG 1 -5.327 0.909 1.430 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -4.321 0.238 2.118 0.00 0.00 -0.342 N ATOM 31 H LIG 1 -3.482 0.073 1.566 0.00 0.00 +0.146 HD ATOM 32 C LIG 1 -4.652 -0.888 2.987 0.00 0.00 +0.102 C ATOM 33 C LIG 1 -5.924 -0.569 3.767 0.00 0.00 +0.023 C ATOM 34 C LIG 1 -7.071 -0.187 2.822 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -6.626 0.732 1.718 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -7.669 1.429 0.935 0.00 0.00 +0.270 A ATOM 37 O LIG 1 -8.864 1.275 1.169 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -7.223 2.243 -0.072 0.00 0.00 -0.243 N ATOM 39 H LIG 1 -7.926 2.735 -0.614 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 -5.922 2.495 -0.382 0.00 0.00 -0.174 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 6