REMARK Name = BDB059273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.038 0.910 0.375 0.00 0.00 -0.228 N ATOM 2 H LIG 1 -0.167 1.570 -0.395 0.00 0.00 +0.171 HD ATOM 3 C LIG 1 -1.108 0.132 0.783 0.00 0.00 +0.259 C ATOM 4 O LIG 1 -0.958 -0.972 1.301 0.00 0.00 -0.269 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.470 0.674 0.527 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -3.544 -0.232 0.482 0.00 0.00 +0.041 A ATOM 7 C LIG 1 -4.848 0.228 0.247 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -5.069 1.600 0.066 0.00 0.00 +0.066 A ATOM 9 C LIG 1 -3.999 2.485 0.127 0.00 0.00 +0.126 A ATOM 10 F LIG 1 -4.219 3.796 -0.034 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -2.703 2.041 0.358 0.00 0.00 +0.051 A BRANCH 7 12 ATOM 12 N LIG 1 -5.951 -0.670 0.192 0.00 0.00 -0.240 N ATOM 13 N LIG 1 -7.208 -0.210 -0.040 0.00 0.00 -0.175 NA ATOM 14 C LIG 1 -7.977 -1.298 -0.028 0.00 0.00 +0.135 A ATOM 15 C LIG 1 -7.246 -2.469 0.208 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -5.947 -2.040 0.347 0.00 0.00 +0.114 A ENDBRANCH 7 12 ENDBRANCH 3 5 BRANCH 1 17 ATOM 17 N LIG 1 1.321 0.176 0.327 0.00 0.00 -0.108 NA ATOM 18 H LIG 1 1.243 -0.738 0.807 0.00 0.00 +0.172 HD BRANCH 17 19 ATOM 19 S LIG 1 1.878 -0.112 -1.269 0.00 0.00 +0.076 S ATOM 20 O LIG 1 1.317 0.956 -2.079 0.00 0.00 -0.152 OA ATOM 21 O LIG 1 1.643 -1.500 -1.591 0.00 0.00 -0.152 OA BRANCH 19 25 ATOM 22 C LIG 1 5.702 -0.420 -0.063 0.00 0.00 +0.157 A ATOM 23 C LIG 1 4.321 -0.598 -0.204 0.00 0.00 +0.191 A ATOM 24 F LIG 1 3.689 -1.495 0.569 0.00 0.00 -0.200 F ATOM 25 C LIG 1 3.605 0.154 -1.128 0.00 0.00 +0.145 A ATOM 26 C LIG 1 4.249 1.097 -1.931 0.00 0.00 +0.032 A ATOM 27 C LIG 1 5.625 1.279 -1.796 0.00 0.00 +0.006 A ATOM 28 C LIG 1 6.349 0.524 -0.866 0.00 0.00 +0.049 A BRANCH 22 30 ATOM 29 C LIG 1 7.711 -1.079 1.037 0.00 0.00 +0.277 C ATOM 30 O LIG 1 6.304 -1.208 0.879 0.00 0.00 -0.492 OA ENDBRANCH 22 30 ENDBRANCH 19 25 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 6