REMARK Name = BDB001344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.207 -2.156 -2.910 0.00 0.00 +0.186 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -1.524 0.547 -3.641 0.00 0.00 -0.270 OA ATOM 3 C LIG 1 -2.307 0.066 -2.828 0.00 0.00 +0.248 C ATOM 4 N LIG 1 -2.190 -1.221 -2.358 0.00 0.00 -0.298 N ATOM 5 H LIG 1 -2.969 -1.609 -1.836 0.00 0.00 +0.150 HD BRANCH 3 6 ATOM 6 C LIG 1 -3.464 0.867 -2.337 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -4.101 0.647 -1.108 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -5.208 1.420 -0.733 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -5.654 2.448 -1.562 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.004 2.700 -2.769 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.915 1.914 -3.155 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 -3.696 -0.356 -0.261 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 -2.953 -0.003 0.848 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -2.331 1.234 1.046 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -1.587 1.465 2.206 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.452 0.461 3.163 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.064 -0.775 2.965 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.809 -1.007 1.809 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 -1.866 -2.926 -4.050 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -3.055 -3.185 -4.165 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -0.981 -3.384 -4.960 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -1.538 -3.824 -5.636 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -0.720 -3.167 -1.865 0.00 0.00 +0.071 C BRANCH 23 24 ATOM 24 C LIG 1 -0.024 -2.577 -0.668 0.00 0.00 -0.019 A ATOM 25 C LIG 1 0.176 -3.225 0.586 0.00 0.00 +0.004 A ATOM 26 C LIG 1 0.849 -2.333 1.430 0.00 0.00 +0.058 A ATOM 27 C LIG 1 1.186 -2.699 2.751 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.831 -3.971 3.204 0.00 0.00 +0.043 A ATOM 29 C LIG 1 0.163 -4.868 2.382 0.00 0.00 +0.021 A ATOM 30 CL LIG 1 1.221 -4.433 4.818 0.00 0.00 -0.083 Cl ATOM 31 N LIG 1 1.051 -1.140 0.726 0.00 0.00 -0.287 N ATOM 32 C LIG 1 1.652 0.041 1.228 0.00 0.00 +0.232 C ATOM 33 O LIG 1 2.050 0.083 2.386 0.00 0.00 -0.272 OA ATOM 34 C LIG 1 -0.168 -4.506 1.073 0.00 0.00 +0.012 A ATOM 35 C LIG 1 0.551 -1.329 -0.554 0.00 0.00 +0.098 A BRANCH 32 36 ATOM 36 C LIG 1 1.738 1.188 0.242 0.00 0.00 +0.099 C BRANCH 36 37 ATOM 37 C LIG 1 2.380 2.444 0.840 0.00 0.00 +0.013 C BRANCH 37 38 ATOM 38 C LIG 1 3.896 2.337 1.038 0.00 0.00 -0.011 C ATOM 39 C LIG 1 4.694 2.179 -0.256 0.00 0.00 +0.003 C ATOM 40 C LIG 1 6.105 2.652 0.088 0.00 0.00 +0.000 C ATOM 41 C LIG 1 5.988 3.449 1.387 0.00 0.00 +0.000 C ATOM 42 C LIG 1 4.495 3.610 1.634 0.00 0.00 +0.003 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11