REMARK Name = BDB036445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.881 -1.040 -2.297 0.00 0.00 -0.019 A ATOM 2 C LIG 1 0.949 -2.003 -1.870 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -0.394 -1.696 -2.063 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -0.854 -0.529 -2.640 0.00 0.00 +0.106 A ATOM 5 C LIG 1 -2.266 -0.675 -2.617 0.00 0.00 +0.192 A ATOM 6 N LIG 1 -2.629 -1.837 -2.066 0.00 0.00 -0.060 NA ATOM 7 C LIG 1 0.071 0.441 -3.072 0.00 0.00 +0.135 A ATOM 8 O LIG 1 -1.451 -2.477 -1.719 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.439 0.163 -2.885 0.00 0.00 +0.052 A ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.145 0.281 -3.105 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -2.760 1.190 -3.356 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -4.770 0.333 -2.731 0.00 0.00 +0.077 S ATOM 13 O LIG 1 -5.252 1.638 -3.141 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -5.402 -0.863 -3.253 0.00 0.00 -0.150 OA BRANCH 12 15 ATOM 15 C LIG 1 -4.825 0.280 -0.955 0.00 0.00 +0.150 A ATOM 16 C LIG 1 -4.138 1.251 -0.193 0.00 0.00 +0.147 A ATOM 17 C LIG 1 -4.207 1.191 1.205 0.00 0.00 +0.051 A ATOM 18 C LIG 1 -4.945 0.175 1.799 0.00 0.00 -0.041 A ATOM 19 C LIG 1 -5.178 -0.058 3.260 0.00 0.00 +0.036 C ATOM 20 C LIG 1 -5.674 -1.512 3.256 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -6.369 -1.736 1.905 0.00 0.00 +0.036 C ATOM 22 C LIG 1 -5.621 -0.777 1.033 0.00 0.00 -0.042 A ATOM 23 C LIG 1 -5.578 -0.737 -0.347 0.00 0.00 +0.036 A BRANCH 16 24 ATOM 24 O LIG 1 -3.410 2.188 -0.879 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 -2.926 3.307 -0.146 0.00 0.00 +0.277 C ENDBRANCH 16 24 ENDBRANCH 12 15 ENDBRANCH 10 12 ENDBRANCH 5 10 BRANCH 7 26 ATOM 26 O LIG 1 -0.434 1.590 -3.618 0.00 0.00 -0.494 OA ATOM 27 C LIG 1 0.478 2.426 -4.322 0.00 0.00 +0.277 C ENDBRANCH 7 26 BRANCH 1 28 ATOM 28 C LIG 1 3.359 -1.301 -2.107 0.00 0.00 +0.178 C BRANCH 28 31 ATOM 29 C LIG 1 4.352 -0.401 1.258 0.00 0.00 +0.007 A ATOM 30 C LIG 1 4.020 -0.026 -0.029 0.00 0.00 +0.113 A ATOM 31 N LIG 1 3.746 -1.181 -0.708 0.00 0.00 -0.267 N ATOM 32 N LIG 1 3.900 -2.288 0.044 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 4.263 -1.812 1.237 0.00 0.00 +0.139 A BRANCH 29 34 ATOM 34 C LIG 1 4.721 0.458 2.410 0.00 0.00 +0.146 C BRANCH 34 36 ATOM 35 C LIG 1 6.958 -0.151 3.204 0.00 0.00 +0.400 C ATOM 36 N LIG 1 6.150 0.613 2.423 0.00 0.00 -0.277 N ATOM 37 H LIG 1 6.608 1.121 1.681 0.00 0.00 +0.152 HD ATOM 38 O LIG 1 6.582 -0.946 4.052 0.00 0.00 -0.226 OA BRANCH 35 40 ATOM 39 C LIG 1 9.194 -0.656 3.640 0.00 0.00 +0.282 C ATOM 40 O LIG 1 8.250 0.105 2.885 0.00 0.00 -0.454 OA ENDBRANCH 35 40 ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 10