REMARK Name = BDB064290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.353 -1.190 2.321 0.00 0.00 +0.111 A ATOM 2 C LIG 1 3.270 -2.174 3.286 0.00 0.00 +0.167 A ATOM 3 F LIG 1 4.326 -2.880 3.709 0.00 0.00 -0.202 F ATOM 4 C LIG 1 2.021 -2.422 3.795 0.00 0.00 +0.155 A ATOM 5 N LIG 1 0.911 -1.765 3.403 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 1.058 -0.820 2.462 0.00 0.00 +0.221 A ATOM 7 N LIG 1 2.246 -0.520 1.906 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 7.761 0.745 -1.611 0.00 0.00 +0.162 A ATOM 9 S LIG 1 6.061 0.584 -1.911 0.00 0.00 -0.052 S ATOM 10 C LIG 1 5.800 0.027 -0.310 0.00 0.00 +0.041 A ATOM 11 C LIG 1 7.019 -0.005 0.355 0.00 0.00 +0.080 A ATOM 12 C LIG 1 7.042 -0.431 1.695 0.00 0.00 +0.029 A ATOM 13 C LIG 1 5.849 -0.814 2.328 0.00 0.00 +0.012 A ATOM 14 C LIG 1 4.615 -0.791 1.658 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.600 -0.355 0.316 0.00 0.00 +0.027 A ATOM 16 N LIG 1 8.110 0.399 -0.389 0.00 0.00 -0.225 NA BRANCH 8 17 ATOM 17 N LIG 1 8.664 1.183 -2.542 0.00 0.00 -0.310 N BRANCH 17 19 ATOM 18 C LIG 1 10.787 -0.039 -2.364 0.00 0.00 +0.024 C ATOM 19 C LIG 1 10.071 1.289 -2.161 0.00 0.00 +0.103 C ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 C LIG 1 8.299 1.574 -3.898 0.00 0.00 +0.103 C ATOM 21 C LIG 1 7.921 3.047 -3.956 0.00 0.00 +0.024 C ENDBRANCH 17 20 ENDBRANCH 8 17 ENDBRANCH 1 14 BRANCH 6 22 ATOM 22 N LIG 1 -0.015 -0.087 1.994 0.00 0.00 -0.268 N ATOM 23 H LIG 1 0.260 0.592 1.301 0.00 0.00 +0.156 HD BRANCH 22 24 ATOM 24 C LIG 1 -1.367 -0.045 2.275 0.00 0.00 +0.125 A ATOM 25 N LIG 1 -2.065 0.871 1.561 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 -3.400 0.977 1.780 0.00 0.00 +0.126 A ATOM 27 C LIG 1 -4.098 0.175 2.663 0.00 0.00 +0.055 A ATOM 28 C LIG 1 -3.379 -0.747 3.412 0.00 0.00 +0.018 A ATOM 29 C LIG 1 -2.001 -0.860 3.209 0.00 0.00 +0.044 A BRANCH 27 30 ATOM 30 C LIG 1 -5.548 0.333 2.864 0.00 0.00 +0.248 C ATOM 31 N LIG 1 -6.394 0.302 1.759 0.00 0.00 -0.294 N ATOM 32 C LIG 1 -7.817 0.579 1.981 0.00 0.00 +0.127 C ATOM 33 C LIG 1 -8.555 0.953 0.692 0.00 0.00 +0.127 C ATOM 34 N LIG 1 -8.384 -0.044 -0.368 0.00 0.00 -0.298 N ATOM 35 C LIG 1 -9.366 -0.149 -1.341 0.00 0.00 +0.219 C ATOM 36 O LIG 1 -10.349 0.583 -1.390 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 -7.194 -0.895 -0.294 0.00 0.00 +0.127 C ATOM 38 C LIG 1 -6.023 -0.214 0.433 0.00 0.00 +0.127 C ATOM 39 O LIG 1 -5.951 0.485 4.014 0.00 0.00 -0.270 OA BRANCH 35 40 ATOM 40 C LIG 1 -9.198 -1.223 -2.360 0.00 0.00 +0.075 C ATOM 41 C LIG 1 -8.357 -0.976 -3.592 0.00 0.00 +0.013 C ATOM 42 C LIG 1 -9.845 -1.088 -3.721 0.00 0.00 +0.013 C ENDBRANCH 35 40 ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 8