REMARK Name = BDB024164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.726 -1.740 -0.106 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.546 -3.241 0.072 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.874 -4.021 -0.884 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.714 -5.395 -0.696 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.234 -6.010 0.440 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.922 -5.254 1.387 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.082 -3.879 1.203 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.397 -1.055 -0.553 0.00 0.00 +0.239 C ATOM 9 N LIG 1 -0.582 -1.088 0.431 0.00 0.00 -0.283 N ATOM 10 H LIG 1 -0.380 -1.642 1.256 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.270 -0.545 -1.665 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.872 -0.526 0.358 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -2.362 0.237 -0.690 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -3.611 0.773 -0.725 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 -4.444 0.569 0.317 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -4.025 -0.199 1.400 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -2.737 -0.744 1.425 0.00 0.00 +0.028 A BRANCH 15 18 ATOM 18 N LIG 1 -5.711 1.101 0.257 0.00 0.00 -0.315 N ATOM 19 C LIG 1 -6.494 1.440 1.438 0.00 0.00 +0.106 C ATOM 20 C LIG 1 -7.375 2.607 0.987 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -7.472 2.422 -0.519 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -6.072 1.937 -0.883 0.00 0.00 +0.106 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 N LIG 1 2.814 -1.481 -1.077 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 2.393 -1.576 -2.006 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.371 -0.127 -0.974 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 C LIG 1 4.372 0.010 0.183 0.00 0.00 +0.050 C BRANCH 26 30 ATOM 27 C LIG 1 6.152 3.945 0.250 0.00 0.00 +0.052 A ATOM 28 C LIG 1 4.927 3.719 0.885 0.00 0.00 +0.019 A ATOM 29 C LIG 1 4.353 2.445 0.867 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.000 1.384 0.218 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.224 1.620 -0.422 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.799 2.893 -0.405 0.00 0.00 +0.019 A BRANCH 27 34 ATOM 33 N LIG 1 7.220 6.309 0.289 0.00 0.00 -0.191 NA ATOM 34 C LIG 1 6.742 5.252 0.270 0.00 0.00 +0.099 C ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9