REMARK Name = BDB059961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.575 0.527 0.545 0.00 0.00 +0.029 A ATOM 2 C LIG 1 1.274 0.198 0.135 0.00 0.00 -0.026 A ATOM 3 C LIG 1 0.971 -0.745 -0.999 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -0.221 -1.632 -0.627 0.00 0.00 +0.113 C ATOM 5 N LIG 1 -1.409 -0.906 -0.149 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.243 0.506 0.277 0.00 0.00 +0.124 C ATOM 7 C LIG 1 -2.694 -1.437 -0.115 0.00 0.00 +0.220 C ATOM 8 O LIG 1 -3.666 -0.720 0.128 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 0.168 0.773 0.792 0.00 0.00 -0.021 A ATOM 10 C LIG 1 0.378 1.618 1.892 0.00 0.00 +0.006 A ATOM 11 C LIG 1 1.671 1.924 2.309 0.00 0.00 +0.002 A ATOM 12 C LIG 1 2.765 1.389 1.631 0.00 0.00 +0.017 A ENDROOT BRANCH 7 13 ATOM 13 C LIG 1 -2.868 -2.948 -0.346 0.00 0.00 +0.089 C ATOM 14 C LIG 1 -2.372 -3.807 0.840 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -3.234 -5.049 1.097 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -4.728 -4.764 1.248 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -5.223 -3.579 0.424 0.00 0.00 +0.001 C ATOM 18 C LIG 1 -4.317 -3.283 -0.762 0.00 0.00 +0.013 C BRANCH 14 19 ATOM 19 C LIG 1 -2.119 -3.041 2.125 0.00 0.00 +0.309 C ATOM 20 O LIG 1 -1.020 -2.824 2.609 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 -3.228 -2.585 2.724 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 -2.907 -2.062 3.488 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 14 19 ENDBRANCH 7 13 BRANCH 1 24 ATOM 23 C LIG 1 4.694 -0.449 -0.676 0.00 0.00 -0.063 C ATOM 24 C LIG 1 3.730 -0.002 -0.116 0.00 0.00 -0.063 C BRANCH 23 26 ATOM 25 C LIG 1 7.159 -0.443 -0.778 0.00 0.00 +0.055 C ATOM 26 C LIG 1 5.868 -1.008 -1.367 0.00 0.00 +0.121 C ATOM 27 C LIG 1 5.790 -0.730 -2.865 0.00 0.00 +0.055 C BRANCH 26 28 ATOM 28 O LIG 1 5.877 -2.424 -1.190 0.00 0.00 -0.377 OA ATOM 29 H LIG 1 5.777 -2.590 -0.237 0.00 0.00 +0.211 HD ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 1 24 BRANCH 6 30 ATOM 30 C LIG 1 -1.669 1.469 -0.872 0.00 0.00 +0.144 C BRANCH 30 31 ATOM 31 N LIG 1 -1.269 2.854 -0.693 0.00 0.00 -0.232 N ATOM 32 C LIG 1 -1.789 3.688 0.257 0.00 0.00 +0.254 C ATOM 33 O LIG 1 -2.648 3.466 1.088 0.00 0.00 -0.270 OA ATOM 34 C LIG 1 -1.064 4.952 0.141 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -0.120 4.802 -0.859 0.00 0.00 +0.049 A ATOM 36 C LIG 1 0.744 5.821 -1.207 0.00 0.00 +0.014 A ATOM 37 C LIG 1 0.628 7.024 -0.505 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -0.334 7.177 0.516 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -1.197 6.129 0.852 0.00 0.00 +0.014 A ATOM 40 C LIG 1 -0.249 3.446 -1.387 0.00 0.00 +0.254 C ATOM 41 O LIG 1 0.447 2.988 -2.274 0.00 0.00 -0.270 OA ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 8