REMARK Name = BDB006562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.771 2.814 -1.037 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.787 1.717 -1.254 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.951 0.342 -0.898 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.212 -0.335 -1.272 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.372 -1.714 -1.044 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.675 -2.412 -0.434 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.854 -1.764 -0.065 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.063 0.600 -1.838 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.994 -0.384 -0.280 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.463 1.846 -1.843 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.125 3.067 -2.387 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.931 -2.569 0.578 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.217 -2.098 0.430 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.397 -1.393 -0.272 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.655 -3.608 1.168 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.365 -2.844 0.923 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.473 -2.777 2.450 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.625 -2.336 0.241 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -7.135 -1.051 0.503 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -8.285 -0.573 -0.148 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -8.920 -1.404 -1.081 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -8.421 -2.676 -1.357 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -7.279 -3.138 -0.704 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -8.843 0.811 0.134 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -9.280 0.955 1.594 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -7.844 1.907 -0.247 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.380 0.292 -2.397 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.518 0.739 -1.509 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.631 0.288 -0.188 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.696 0.700 0.620 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.684 1.564 0.126 0.00 0.00 -0.017 A ATOM 32 C LIG 1 5.571 2.010 -1.200 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.507 1.597 -2.009 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 6.803 2.001 0.978 0.00 0.00 -0.006 A ATOM 35 C LIG 1 7.755 1.118 1.533 0.00 0.00 +0.044 A ATOM 36 C LIG 1 8.748 1.594 2.407 0.00 0.00 +0.013 A ATOM 37 C LIG 1 8.829 2.951 2.713 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.915 3.838 2.155 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.912 3.368 1.303 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 7.787 -0.341 1.252 0.00 0.00 +0.245 C ATOM 41 N LIG 1 7.705 -0.715 -0.069 0.00 0.00 -0.309 N ATOM 42 H LIG 1 7.621 0.003 -0.777 0.00 0.00 +0.149 HD ATOM 43 O LIG 1 7.919 -1.143 2.170 0.00 0.00 -0.270 OA BRANCH 41 44 ATOM 44 C LIG 1 7.794 -2.100 -0.503 0.00 0.00 +0.132 C BRANCH 44 45 ATOM 45 C LIG 1 6.600 -2.953 -0.058 0.00 0.00 +0.174 C BRANCH 45 46 ATOM 46 O LIG 1 6.745 -3.412 1.282 0.00 0.00 -0.393 OA ATOM 47 H LIG 1 7.110 -2.664 1.806 0.00 0.00 +0.209 HD ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 11