REMARK Name = BDB021527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.365 -3.617 0.412 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -1.755 -2.596 -0.456 0.00 0.00 -0.331 N ATOM 3 C LIG 1 -2.139 -1.284 -0.131 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -1.291 -0.218 0.227 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -1.833 1.042 0.563 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -3.205 1.281 0.516 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -4.072 0.265 0.131 0.00 0.00 -0.020 A ATOM 8 C LIG 1 0.191 -0.268 0.328 0.00 0.00 +0.249 C ATOM 9 O LIG 1 0.741 0.275 1.287 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 0.935 -0.858 -0.686 0.00 0.00 -0.293 N ATOM 11 C LIG 1 0.330 -1.805 -1.614 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.526 -0.990 -0.191 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -0.378 -2.923 -0.850 0.00 0.00 +0.123 C ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 -5.527 0.507 0.039 0.00 0.00 -0.044 C ATOM 15 C LIG 1 -5.979 1.731 -0.722 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -7.469 1.694 -1.073 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -8.349 1.226 0.093 0.00 0.00 +0.097 C ATOM 18 C LIG 1 -7.888 -0.149 0.596 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -6.397 -0.335 0.625 0.00 0.00 -0.022 C BRANCH 17 20 ATOM 20 C LIG 1 -8.404 2.243 1.226 0.00 0.00 +0.393 C ATOM 21 F LIG 1 -9.276 1.844 2.182 0.00 0.00 -0.170 F ATOM 22 F LIG 1 -8.841 3.440 0.768 0.00 0.00 -0.170 F ATOM 23 F LIG 1 -7.214 2.447 1.821 0.00 0.00 -0.170 F ENDBRANCH 17 20 ENDBRANCH 7 14 BRANCH 10 24 ATOM 24 C LIG 1 2.403 -0.755 -0.644 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 3.058 -1.793 0.285 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 2.818 -1.510 1.669 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 2.099 -0.843 1.724 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 4.579 -1.992 0.037 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 5.546 -0.894 0.187 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.647 -0.004 -0.973 0.00 0.00 +0.120 C ATOM 31 C LIG 1 6.663 1.107 -0.797 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.107 1.484 0.482 0.00 0.00 -0.042 A ATOM 33 C LIG 1 8.020 2.538 0.620 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.472 3.230 -0.503 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.020 2.872 -1.771 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.654 0.711 1.695 0.00 0.00 +0.051 C ATOM 37 C LIG 1 7.119 1.817 -1.918 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.400 -0.134 1.431 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 7