REMARK Name = BDB019706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.418 0.140 1.504 0.00 0.00 +0.059 A ATOM 2 C LIG 1 -0.731 -1.242 1.541 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -1.953 -1.691 0.979 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.889 -0.729 0.539 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.631 0.643 0.610 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.384 1.067 1.081 0.00 0.00 +0.020 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.270 -3.112 0.705 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -1.609 -3.853 -0.307 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.515 -3.258 -1.153 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.962 -5.198 -0.520 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.970 -5.789 0.231 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.295 -7.069 0.006 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.648 -5.072 1.203 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.302 -3.740 1.434 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 2 15 ATOM 15 N LIG 1 0.225 -2.142 2.095 0.00 0.00 -0.285 N ATOM 16 H LIG 1 1.133 -1.718 2.295 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -0.098 -3.132 3.007 0.00 0.00 +0.214 C ATOM 18 O LIG 1 -1.201 -3.332 3.505 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 1.104 -3.937 3.432 0.00 0.00 +0.109 C ENDBRANCH 2 15 BRANCH 1 22 ATOM 20 N LIG 1 1.369 1.810 1.352 0.00 0.00 -0.307 N ATOM 21 H LIG 1 0.889 2.159 0.533 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 0.934 0.632 1.926 0.00 0.00 +0.246 C ATOM 23 O LIG 1 1.627 -0.033 2.691 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 2.723 2.284 1.539 0.00 0.00 +0.140 C BRANCH 24 29 ATOM 25 C LIG 1 5.039 0.043 -0.492 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.215 0.814 -1.647 0.00 0.00 +0.091 A ATOM 27 C LIG 1 4.598 2.058 -1.774 0.00 0.00 +0.124 A ATOM 28 C LIG 1 3.800 2.534 -0.732 0.00 0.00 +0.051 A ATOM 29 C LIG 1 3.619 1.782 0.437 0.00 0.00 -0.023 A ATOM 30 C LIG 1 4.242 0.529 0.544 0.00 0.00 +0.051 A BRANCH 25 32 ATOM 31 C LIG 1 5.544 -1.983 0.646 0.00 0.00 +0.277 C ATOM 32 O LIG 1 5.691 -1.160 -0.505 0.00 0.00 -0.495 OA ENDBRANCH 25 32 BRANCH 27 33 ATOM 33 O LIG 1 4.685 2.895 -2.853 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 5.489 2.455 -3.942 0.00 0.00 +0.277 C ENDBRANCH 27 33 ENDBRANCH 24 29 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 5 35 ATOM 35 C LIG 1 -3.659 1.651 0.155 0.00 0.00 +0.138 C BRANCH 35 36 ATOM 36 N LIG 1 -3.151 2.369 -0.991 0.00 0.00 -0.329 N ATOM 37 H LIG 1 -2.715 1.781 -1.697 0.00 0.00 +0.147 HD BRANCH 36 38 ATOM 38 C LIG 1 -3.793 3.428 -1.562 0.00 0.00 +0.090 C ATOM 39 C LIG 1 -4.739 4.315 -0.805 0.00 0.00 +0.073 C ATOM 40 C LIG 1 -4.749 5.511 -1.726 0.00 0.00 +0.031 C ATOM 41 C LIG 1 -4.489 4.882 -3.081 0.00 0.00 +0.143 C ATOM 42 N LIG 1 -3.627 3.712 -2.819 0.00 0.00 -0.273 NA ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 10