REMARK Name = BDB021363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.768 -0.111 0.208 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.160 -1.157 -0.049 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.495 -0.803 -0.083 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -2.215 -1.959 -0.274 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.272 -2.954 -0.393 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.936 0.521 0.096 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.075 1.468 0.353 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.002 -2.451 -0.261 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.260 1.124 0.402 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.036 -0.574 0.355 0.00 0.00 +0.121 A ATOM 11 C LIG 1 4.258 -0.918 1.465 0.00 0.00 +0.049 A ATOM 12 C LIG 1 2.858 -0.781 1.456 0.00 0.00 -0.039 A ATOM 13 C LIG 1 2.076 -1.189 2.674 0.00 0.00 +0.044 C ATOM 14 C LIG 1 2.231 -0.289 0.297 0.00 0.00 -0.010 A ATOM 15 C LIG 1 3.017 0.059 -0.814 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.409 -0.081 -0.785 0.00 0.00 +0.046 A BRANCH 10 17 ATOM 17 O LIG 1 6.378 -0.763 0.529 0.00 0.00 -0.490 OA BRANCH 17 18 ATOM 18 C LIG 1 7.259 -0.557 -0.577 0.00 0.00 +0.257 C BRANCH 18 19 ATOM 19 C LIG 1 7.723 0.901 -0.674 0.00 0.00 +0.200 C BRANCH 19 21 ATOM 20 C LIG 1 9.721 0.806 0.631 0.00 0.00 +0.194 C ATOM 21 O LIG 1 8.425 1.365 0.483 0.00 0.00 -0.380 OA ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 1 14 BRANCH 5 22 ATOM 22 C LIG 1 -1.512 -4.347 -0.612 0.00 0.00 +0.121 C ATOM 23 N LIG 1 -1.754 -5.469 -0.793 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -3.277 0.835 0.029 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.374 1.784 0.393 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.950 0.795 -1.269 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.358 1.300 -1.134 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.309 0.683 -0.324 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -6.183 -0.480 0.588 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -7.662 -0.733 0.878 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -8.405 0.482 0.632 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.599 1.190 -0.220 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.007 2.317 -0.905 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.079 2.942 -1.736 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.777 2.433 -1.845 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -4.914 3.065 -2.653 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 9