REMARK Name = BDB013493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.214 3.158 1.307 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.163 2.114 1.051 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.197 1.260 -0.067 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.824 0.301 -0.220 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.866 0.162 0.710 0.00 0.00 -0.043 A ATOM 6 C LIG 1 -1.880 1.016 1.814 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.878 1.973 1.984 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.289 1.306 -1.118 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 2.487 0.508 -0.732 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 2.671 -0.922 -1.618 0.00 0.00 +0.065 S ATOM 11 O LIG 1 1.437 -1.670 -1.461 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 3.138 -0.593 -2.948 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 3.946 -1.810 -0.777 0.00 0.00 +0.147 A ATOM 14 C LIG 1 5.199 -1.278 -0.488 0.00 0.00 +0.147 A ATOM 15 C LIG 1 6.142 -2.106 0.146 0.00 0.00 +0.047 A ATOM 16 C LIG 1 5.850 -3.422 0.503 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.596 -3.942 0.224 0.00 0.00 +0.002 A ATOM 18 O LIG 1 5.710 -0.036 -0.700 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 4.939 1.035 -1.240 0.00 0.00 +0.186 C ATOM 20 C LIG 1 5.873 2.249 -1.201 0.00 0.00 +0.053 C ATOM 21 C LIG 1 3.652 -3.143 -0.419 0.00 0.00 +0.032 A ATOM 22 C LIG 1 3.683 1.336 -0.409 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 -2.933 -0.897 0.473 0.00 0.00 +0.030 C BRANCH 23 24 ATOM 24 C LIG 1 -3.287 -1.671 1.753 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 -4.126 -2.881 1.440 0.00 0.00 +0.305 C ATOM 26 O LIG 1 -5.347 -2.891 1.493 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -3.403 -3.959 1.059 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 -2.436 -3.814 1.051 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 29 ATOM 29 C LIG 1 -4.149 -0.318 -0.289 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 -5.069 0.604 0.517 0.00 0.00 +0.059 C BRANCH 30 31 ATOM 31 C LIG 1 -6.249 1.029 -0.276 0.00 0.00 +0.083 A ATOM 32 N LIG 1 -6.245 2.203 -0.987 0.00 0.00 -0.135 NA ATOM 33 N LIG 1 -7.420 2.310 -1.598 0.00 0.00 -0.068 NA ATOM 34 N LIG 1 -8.149 1.232 -1.271 0.00 0.00 -0.265 N ATOM 35 H LIG 1 -9.088 1.146 -1.648 0.00 0.00 +0.190 HD ATOM 36 C LIG 1 -7.462 0.397 -0.445 0.00 0.00 +0.130 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 5 23 TORSDOF 9