REMARK Name = BDB027219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.067 -1.182 -0.287 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -2.061 -0.646 0.547 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.064 -1.497 1.049 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -3.071 -2.851 0.713 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -2.129 -3.376 -0.102 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.167 -2.545 -0.572 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.093 -3.800 1.200 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.695 -3.668 2.465 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.657 -4.581 2.896 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.209 -4.423 4.107 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.039 -5.642 2.088 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.964 -6.514 2.509 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.460 -5.808 0.839 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.494 -4.894 0.402 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.338 0.407 -0.614 0.00 0.00 +0.056 C ATOM 16 C LIG 1 1.157 -0.335 0.076 0.00 0.00 +0.129 C ATOM 17 N LIG 1 -0.047 -0.367 -0.782 0.00 0.00 -0.327 N ATOM 18 C LIG 1 0.191 -0.400 -2.240 0.00 0.00 +0.105 C ATOM 19 C LIG 1 1.535 -1.036 -2.587 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.731 -0.372 -1.889 0.00 0.00 +0.027 C BRANCH 15 21 ATOM 21 N LIG 1 1.960 1.778 -1.042 0.00 0.00 -0.322 NA ATOM 22 H LIG 1 2.817 2.329 -1.130 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 1.384 2.225 -0.328 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 3.530 0.494 0.376 0.00 0.00 +0.183 C BRANCH 24 25 ATOM 25 O LIG 1 4.612 1.208 -0.233 0.00 0.00 -0.375 OA BRANCH 25 27 ATOM 26 C LIG 1 6.566 2.524 0.071 0.00 0.00 +0.037 C ATOM 27 C LIG 1 5.753 1.355 0.616 0.00 0.00 +0.112 C ATOM 28 C LIG 1 6.592 0.081 0.614 0.00 0.00 +0.037 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 -2.086 0.820 0.917 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 N LIG 1 -2.234 1.714 -0.219 0.00 0.00 -0.310 N ATOM 31 C LIG 1 -1.581 2.907 -0.378 0.00 0.00 +0.166 A ATOM 32 C LIG 1 -2.090 3.432 -1.556 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -1.586 4.679 -1.962 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -0.677 5.297 -1.175 0.00 0.00 -0.219 NA ATOM 35 C LIG 1 -0.269 4.664 -0.054 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -3.054 2.600 -2.093 0.00 0.00 -0.231 NA ATOM 37 N LIG 1 -0.662 3.466 0.431 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -3.111 1.579 -1.264 0.00 0.00 +0.202 A BRANCH 33 39 ATOM 39 N LIG 1 -2.007 5.330 -3.115 0.00 0.00 -0.341 N ATOM 40 H LIG 1 -2.900 4.997 -3.460 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 -1.856 6.328 -3.068 0.00 0.00 +0.144 HD ENDBRANCH 33 39 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9