REMARK Name = BDB034490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.028 0.692 1.103 0.00 0.00 -0.281 N ATOM 2 C LIG 1 -0.031 -0.159 1.594 0.00 0.00 +0.266 C ATOM 3 O LIG 1 -0.300 -1.210 2.183 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.422 0.159 1.424 0.00 0.00 +0.128 A ATOM 5 N LIG 1 1.807 1.460 1.517 0.00 0.00 -0.248 NA ATOM 6 C LIG 1 3.136 1.719 1.417 0.00 0.00 +0.141 A ATOM 7 C LIG 1 4.116 0.753 1.238 0.00 0.00 +0.108 A ATOM 8 N LIG 1 5.478 1.123 1.149 0.00 0.00 -0.227 NA ATOM 9 C LIG 1 6.388 0.200 0.983 0.00 0.00 +0.143 A ATOM 10 C LIG 1 5.989 -1.176 0.901 0.00 0.00 +0.106 A ATOM 11 N LIG 1 4.669 -1.535 0.995 0.00 0.00 -0.294 N ATOM 12 C LIG 1 4.607 -2.897 0.891 0.00 0.00 +0.204 A ATOM 13 N LIG 1 5.803 -3.424 0.724 0.00 0.00 -0.243 NA ATOM 14 C LIG 1 6.670 -2.358 0.720 0.00 0.00 +0.142 A ATOM 15 C LIG 1 3.668 -0.572 1.165 0.00 0.00 +0.077 A ATOM 16 C LIG 1 2.317 -0.894 1.261 0.00 0.00 +0.061 A BRANCH 9 17 ATOM 17 N LIG 1 7.688 0.607 0.910 0.00 0.00 -0.341 N ATOM 18 H LIG 1 7.806 1.560 1.239 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 8.376 -0.032 1.287 0.00 0.00 +0.144 HD ENDBRANCH 9 17 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 -0.882 3.175 0.919 0.00 0.00 +0.036 C ATOM 21 C LIG 1 -0.776 1.835 0.179 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 C LIG 1 -1.615 1.795 -1.100 0.00 0.00 +0.149 A ATOM 23 N LIG 1 -2.656 2.643 -1.225 0.00 0.00 -0.238 NA ATOM 24 C LIG 1 -3.400 2.525 -2.340 0.00 0.00 +0.114 A ATOM 25 C LIG 1 -3.142 1.612 -3.333 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -2.050 0.805 -3.125 0.00 0.00 +0.114 A ATOM 27 N LIG 1 -1.271 0.872 -2.029 0.00 0.00 -0.238 NA ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 1 28 ATOM 28 C LIG 1 -2.414 0.418 1.513 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -3.248 -0.402 0.546 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -4.489 0.071 0.256 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -5.255 -0.640 -0.601 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -4.858 -1.827 -1.194 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -3.593 -2.317 -0.866 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -2.783 -1.603 0.016 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -5.779 -2.525 -2.140 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -5.242 -3.647 -2.699 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.940 -2.923 -1.548 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -6.148 -1.732 -3.187 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 7