REMARK Name = BDB034802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.671 1.679 -0.122 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.420 2.154 0.629 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.427 1.266 0.955 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -2.613 1.467 1.676 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -3.355 0.267 1.680 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -2.562 -0.689 1.009 0.00 0.00 -0.291 N ATOM 7 O LIG 1 -4.470 0.093 2.146 0.00 0.00 -0.246 OA ATOM 8 C LIG 1 -1.398 -0.065 0.541 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -0.364 -0.559 -0.220 0.00 0.00 +0.030 A ATOM 10 C LIG 1 0.668 0.331 -0.555 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 1.682 2.592 -0.493 0.00 0.00 -0.298 N ATOM 12 H LIG 1 1.587 3.494 -0.035 0.00 0.00 +0.154 HD BRANCH 11 15 ATOM 13 C LIG 1 4.845 0.896 -1.039 0.00 0.00 +0.220 A ATOM 14 N LIG 1 3.564 1.116 -0.702 0.00 0.00 -0.198 NA ATOM 15 C LIG 1 3.042 2.355 -0.824 0.00 0.00 +0.147 A ATOM 16 C LIG 1 3.811 3.405 -1.306 0.00 0.00 +0.099 A ATOM 17 CL LIG 1 3.219 5.011 -1.477 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 5.108 3.101 -1.634 0.00 0.00 +0.137 A ATOM 19 N LIG 1 5.639 1.869 -1.510 0.00 0.00 -0.221 NA BRANCH 13 28 ATOM 20 C LIG 1 8.469 -2.396 -1.729 0.00 0.00 +0.015 C ATOM 21 C LIG 1 7.042 -2.095 -1.276 0.00 0.00 +0.073 C ATOM 22 C LIG 1 6.754 -2.669 0.108 0.00 0.00 +0.257 C ATOM 23 F LIG 1 6.621 -4.022 -0.029 0.00 0.00 -0.205 F ATOM 24 F LIG 1 7.834 -2.497 0.918 0.00 0.00 -0.205 F ATOM 25 C LIG 1 5.499 -2.131 0.803 0.00 0.00 +0.073 C ATOM 26 C LIG 1 5.828 -1.219 1.991 0.00 0.00 +0.015 C ATOM 27 C LIG 1 4.606 -1.407 -0.208 0.00 0.00 +0.117 C ATOM 28 N LIG 1 5.362 -0.373 -0.905 0.00 0.00 -0.299 N ATOM 29 C LIG 1 6.755 -0.600 -1.270 0.00 0.00 +0.117 C ENDBRANCH 13 28 ENDBRANCH 11 15 ENDBRANCH 1 11 BRANCH 6 30 ATOM 30 C LIG 1 -2.984 -2.034 0.704 0.00 0.00 +0.142 C BRANCH 30 31 ATOM 31 C LIG 1 -3.806 -2.098 -0.597 0.00 0.00 +0.106 C BRANCH 31 32 ATOM 32 N LIG 1 -4.157 -3.472 -1.009 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 -4.729 -3.457 -2.376 0.00 0.00 +0.112 C ATOM 34 C LIG 1 -5.170 -4.862 -2.817 0.00 0.00 +0.175 C ATOM 35 O LIG 1 -6.139 -5.406 -1.913 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -5.592 -5.471 -0.590 0.00 0.00 +0.175 C ATOM 37 C LIG 1 -5.152 -4.082 -0.096 0.00 0.00 +0.112 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 6 30 BRANCH 4 38 ATOM 38 C LIG 1 -3.082 2.731 2.192 0.00 0.00 +0.130 C BRANCH 38 39 ATOM 39 C LIG 1 -3.849 3.525 1.131 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 -4.284 4.926 1.596 0.00 0.00 +0.062 C ATOM 41 C LIG 1 -4.966 5.663 0.438 0.00 0.00 +0.041 C ATOM 42 C LIG 1 -5.217 4.880 2.808 0.00 0.00 +0.041 C BRANCH 40 43 ATOM 43 O LIG 1 -3.110 5.660 1.956 0.00 0.00 -0.389 OA ATOM 44 H LIG 1 -3.387 6.558 2.212 0.00 0.00 +0.210 HD ENDBRANCH 40 43 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 4 38 TORSDOF 10