REMARK Name = BDB030867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.471 -1.590 0.056 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.151 -2.488 0.847 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.509 -2.282 0.899 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -3.145 -1.286 0.253 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.403 -0.461 -0.488 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.077 -0.571 -0.595 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.298 0.939 0.378 0.00 0.00 +0.056 A ATOM 8 C LIG 1 4.380 -0.372 -0.130 0.00 0.00 +0.097 A ATOM 9 C LIG 1 3.187 -1.118 -0.263 0.00 0.00 +0.067 A ATOM 10 C LIG 1 1.941 -0.618 0.120 0.00 0.00 +0.010 A ATOM 11 C LIG 1 0.968 -1.632 -0.142 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.637 -2.704 -0.697 0.00 0.00 +0.093 A ATOM 13 C LIG 1 1.880 0.676 0.671 0.00 0.00 +0.012 A ATOM 14 N LIG 1 2.971 -2.398 -0.738 0.00 0.00 -0.359 N ATOM 15 H LIG 1 3.696 -3.011 -1.093 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.055 1.429 0.803 0.00 0.00 +0.025 A BRANCH 7 18 ATOM 17 C LIG 1 6.529 1.988 -0.171 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.380 1.827 0.558 0.00 0.00 -0.250 N ATOM 19 H LIG 1 5.261 2.588 1.215 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 7.393 2.779 0.191 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 7.760 1.461 -2.088 0.00 0.00 +0.282 C ATOM 22 O LIG 1 6.562 1.288 -1.330 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 5.589 -1.086 -0.405 0.00 0.00 +0.103 C ATOM 24 N LIG 1 6.521 -1.743 -0.626 0.00 0.00 -0.191 NA ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -0.516 -3.595 1.603 0.00 0.00 +0.421 C ATOM 26 F LIG 1 -1.360 -4.159 2.516 0.00 0.00 -0.166 F ATOM 27 F LIG 1 0.577 -3.216 2.320 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -0.116 -4.625 0.807 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 -2.967 0.574 -1.198 0.00 0.00 -0.309 N ATOM 30 H LIG 1 -2.207 1.184 -1.480 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.163 1.264 -0.723 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -4.083 1.730 0.749 0.00 0.00 +0.103 C ATOM 33 N LIG 1 -5.282 2.479 1.159 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 -5.196 2.730 2.144 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -6.489 1.669 0.975 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -6.662 1.235 -0.481 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.443 0.464 -0.987 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7