REMARK Name = BDB043785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.770 0.756 -1.225 0.00 0.00 -0.045 A ATOM 2 C LIG 1 1.852 1.437 -0.006 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.727 1.549 0.814 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.493 0.988 0.434 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.582 0.315 -0.784 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.542 0.202 -1.609 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.997 0.588 -2.092 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 3.938 -0.512 -1.573 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 5.241 -0.478 -2.281 0.00 0.00 -0.335 N ATOM 10 H LIG 1 5.171 -0.988 -3.170 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 6.810 0.781 -3.664 0.00 0.00 +0.060 C ATOM 12 C LIG 1 6.147 0.573 -2.317 0.00 0.00 +0.005 C ATOM 13 C LIG 1 6.503 1.392 -1.310 0.00 0.00 +0.069 C BRANCH 13 14 ATOM 14 C LIG 1 6.024 1.316 0.088 0.00 0.00 +0.187 C ATOM 15 O LIG 1 5.360 2.245 0.542 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 6.382 0.144 0.939 0.00 0.00 +0.022 A ATOM 17 C LIG 1 7.250 -0.871 0.518 0.00 0.00 +0.012 A ATOM 18 C LIG 1 7.533 -1.950 1.361 0.00 0.00 +0.001 A ATOM 19 C LIG 1 6.959 -2.018 2.629 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.102 -1.009 3.061 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.815 0.068 2.221 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 22 ATOM 22 C LIG 1 3.292 -1.890 -1.827 0.00 0.00 +0.326 C ATOM 23 O LIG 1 3.477 -2.547 -2.847 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 OXT LIG 1 2.477 -2.324 -0.837 0.00 0.00 -0.479 OA ATOM 25 HXT LIG 1 2.362 -1.687 -0.103 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 8 22 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 26 ATOM 26 O LIG 1 -1.508 1.165 1.333 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.787 0.628 0.982 0.00 0.00 +0.235 C BRANCH 27 28 ATOM 28 C LIG 1 -3.765 0.953 2.107 0.00 0.00 +0.100 C BRANCH 28 29 ATOM 29 C LIG 1 -5.099 0.347 1.875 0.00 0.00 +0.086 A ATOM 30 C LIG 1 -5.695 -0.740 2.479 0.00 0.00 +0.126 A ATOM 31 C LIG 1 -5.313 -1.697 3.532 0.00 0.00 +0.088 C ATOM 32 O LIG 1 -6.925 -0.914 1.910 0.00 0.00 -0.440 OA ATOM 33 C LIG 1 -7.016 0.088 0.978 0.00 0.00 +0.228 A ATOM 34 N LIG 1 -5.947 0.862 0.921 0.00 0.00 -0.214 NA BRANCH 33 35 ATOM 35 C LIG 1 -8.245 0.151 0.192 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -8.392 1.147 -0.786 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -9.554 1.229 -1.557 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -10.587 0.315 -1.359 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -10.460 -0.678 -0.390 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -9.296 -0.760 0.380 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 13