REMARK Name = BDB020593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.485 2.358 0.902 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.126 1.095 1.565 0.00 0.00 -0.016 A ATOM 3 C LIG 1 -1.203 0.036 1.579 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.130 0.950 2.086 0.00 0.00 +0.056 A ATOM 5 N LIG 1 2.049 2.021 1.903 0.00 0.00 -0.317 N ATOM 6 C LIG 1 1.709 3.221 1.270 0.00 0.00 +0.047 A ATOM 7 C LIG 1 2.796 4.067 1.270 0.00 0.00 +0.027 A ATOM 8 C LIG 1 3.860 3.376 1.876 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.389 2.131 2.229 0.00 0.00 +0.091 A ATOM 10 C LIG 1 0.390 3.371 0.772 0.00 0.00 +0.039 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -1.879 2.723 -1.011 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -1.032 2.542 -1.539 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -1.853 2.603 0.357 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -2.839 2.635 1.081 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -3.116 2.731 -1.757 0.00 0.00 +0.145 C BRANCH 15 22 ATOM 16 C LIG 1 -3.955 -2.604 -3.918 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -3.815 -1.250 -3.294 0.00 0.00 +0.016 A ATOM 18 N LIG 1 -2.864 -0.413 -3.820 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -2.285 -0.723 -4.591 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 -2.593 0.846 -3.351 0.00 0.00 +0.254 A ATOM 21 O LIG 1 -1.701 1.533 -3.842 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 -3.428 1.332 -2.201 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -4.368 0.504 -1.694 0.00 0.00 -0.039 A ATOM 24 C LIG 1 -5.281 0.819 -0.541 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -4.554 -0.826 -2.260 0.00 0.00 +0.024 A ENDBRANCH 15 22 ENDBRANCH 11 15 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 1.512 -0.305 2.873 0.00 0.00 +0.163 C ATOM 27 C LIG 1 2.394 -0.195 4.121 0.00 0.00 +0.044 C BRANCH 26 28 ATOM 28 O LIG 1 1.889 -1.395 2.026 0.00 0.00 -0.366 OA BRANCH 28 29 ATOM 29 C LIG 1 3.078 -1.220 1.263 0.00 0.00 +0.196 C BRANCH 29 30 ATOM 30 C LIG 1 3.370 -2.467 0.461 0.00 0.00 -0.019 A ATOM 31 C LIG 1 4.054 -2.362 -0.759 0.00 0.00 +0.044 A ATOM 32 C LIG 1 4.362 -3.507 -1.488 0.00 0.00 +0.124 A ATOM 33 F LIG 1 5.013 -3.389 -2.652 0.00 0.00 -0.205 F ATOM 34 C LIG 1 4.012 -4.770 -1.025 0.00 0.00 +0.038 A ATOM 35 C LIG 1 3.345 -4.890 0.191 0.00 0.00 +0.003 A ATOM 36 C LIG 1 3.031 -3.746 0.932 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 7