REMARK Name = BDB006463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.176 0.732 0.913 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.655 0.297 -0.316 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.263 0.114 -0.453 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.561 -0.313 -1.528 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.863 -0.306 -1.085 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.868 0.134 0.216 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.573 0.383 0.636 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.064 0.832 1.865 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.319 1.005 1.982 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.473 0.179 0.319 0.00 0.00 -0.305 N ATOM 11 H LIG 1 4.077 -0.657 -0.088 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.638 0.942 1.109 0.00 0.00 +0.245 C ATOM 13 O LIG 1 4.036 1.730 1.960 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 5.918 0.188 0.507 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 6.569 -0.992 -0.204 0.00 0.00 -0.027 A ATOM 16 C LIG 1 7.549 -1.746 0.460 0.00 0.00 +0.005 A ATOM 17 C LIG 1 8.166 -2.829 -0.169 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.816 -3.173 -1.472 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.850 -2.432 -2.148 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.232 -1.349 -1.521 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 6.327 2.023 -1.282 0.00 0.00 +0.006 C ATOM 22 C LIG 1 6.582 1.533 0.138 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -3.078 0.263 1.028 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -3.897 1.480 0.644 0.00 0.00 -0.020 A ATOM 25 C LIG 1 -5.226 1.379 0.170 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -5.924 2.558 -0.156 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.333 3.813 -0.014 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -4.031 3.913 0.459 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.321 2.759 0.789 0.00 0.00 +0.006 A BRANCH 25 30 ATOM 30 C LIG 1 -5.917 0.094 0.007 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -6.571 -0.509 1.093 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -7.225 -1.734 0.940 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -7.245 -2.362 -0.308 0.00 0.00 +0.059 A ATOM 34 C LIG 1 -6.588 -1.781 -1.397 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -5.935 -0.555 -1.239 0.00 0.00 +0.009 A BRANCH 33 36 ATOM 36 C LIG 1 -7.943 -3.662 -0.433 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -7.898 -4.525 0.425 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.663 -3.768 -1.569 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -8.746 -2.939 -2.077 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9