REMARK Name = BDB034801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.009 -1.604 -0.203 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.262 -1.937 0.342 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.099 -0.912 0.738 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -3.386 -0.949 1.298 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -3.830 0.377 1.507 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -2.783 1.217 1.081 0.00 0.00 -0.291 N ATOM 7 O LIG 1 -4.912 0.724 1.953 0.00 0.00 -0.246 OA ATOM 8 C LIG 1 -1.733 0.427 0.595 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -0.526 0.792 0.045 0.00 0.00 +0.030 A ATOM 10 C LIG 1 0.332 -0.239 -0.358 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 0.836 -2.645 -0.648 0.00 0.00 -0.298 N ATOM 12 H LIG 1 0.468 -3.570 -0.449 0.00 0.00 +0.154 HD BRANCH 11 15 ATOM 13 C LIG 1 4.325 -1.695 -0.323 0.00 0.00 +0.220 A ATOM 14 N LIG 1 2.985 -1.668 -0.223 0.00 0.00 -0.198 NA ATOM 15 C LIG 1 2.252 -2.683 -0.728 0.00 0.00 +0.147 A ATOM 16 C LIG 1 2.863 -3.756 -1.360 0.00 0.00 +0.099 A ATOM 17 CL LIG 1 1.998 -5.090 -2.012 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 4.232 -3.711 -1.429 0.00 0.00 +0.137 A ATOM 19 N LIG 1 4.973 -2.704 -0.925 0.00 0.00 -0.221 NA BRANCH 13 28 ATOM 20 C LIG 1 8.549 0.803 -0.278 0.00 0.00 +0.015 C ATOM 21 C LIG 1 7.222 0.516 0.425 0.00 0.00 +0.073 C ATOM 22 C LIG 1 6.435 1.795 0.666 0.00 0.00 +0.257 C ATOM 23 F LIG 1 6.229 2.437 -0.514 0.00 0.00 -0.205 F ATOM 24 F LIG 1 7.176 2.637 1.435 0.00 0.00 -0.205 F ATOM 25 C LIG 1 5.101 1.538 1.350 0.00 0.00 +0.073 C ATOM 26 C LIG 1 4.324 2.837 1.565 0.00 0.00 +0.015 C ATOM 27 C LIG 1 4.287 0.555 0.513 0.00 0.00 +0.117 C ATOM 28 N LIG 1 5.073 -0.654 0.249 0.00 0.00 -0.299 N ATOM 29 C LIG 1 6.373 -0.452 -0.398 0.00 0.00 +0.117 C ENDBRANCH 13 28 ENDBRANCH 11 15 ENDBRANCH 1 11 BRANCH 6 30 ATOM 30 C LIG 1 -2.845 2.659 1.051 0.00 0.00 +0.142 C BRANCH 30 31 ATOM 31 C LIG 1 -3.485 3.177 -0.250 0.00 0.00 +0.105 C BRANCH 31 32 ATOM 32 N LIG 1 -3.447 4.647 -0.392 0.00 0.00 -0.307 NA ATOM 33 C LIG 1 -4.314 5.307 0.589 0.00 0.00 +0.104 C ATOM 34 C LIG 1 -3.862 5.027 -1.746 0.00 0.00 +0.104 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 6 30 BRANCH 4 35 ATOM 35 C LIG 1 -4.137 -2.126 1.661 0.00 0.00 +0.130 C BRANCH 35 36 ATOM 36 C LIG 1 -5.315 -2.423 0.723 0.00 0.00 +0.056 C BRANCH 36 37 ATOM 37 C LIG 1 -4.983 -3.224 -0.554 0.00 0.00 +0.062 C ATOM 38 C LIG 1 -6.218 -3.283 -1.460 0.00 0.00 +0.041 C ATOM 39 C LIG 1 -4.519 -4.647 -0.236 0.00 0.00 +0.041 C BRANCH 37 40 ATOM 40 O LIG 1 -3.941 -2.594 -1.292 0.00 0.00 -0.389 OA ATOM 41 H LIG 1 -4.158 -1.648 -1.375 0.00 0.00 +0.210 HD ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 10