REMARK Name = BDB007530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.042 -3.011 -2.049 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.286 -2.431 -1.997 0.00 0.00 -0.309 N ATOM 3 H LIG 1 1.384 -1.427 -2.082 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.125 -4.225 -2.013 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.231 0.013 -1.554 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -1.121 -0.847 -1.490 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -1.116 -2.090 -2.145 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -2.228 -2.494 -2.880 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.316 -1.635 -2.996 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -3.305 -0.393 -2.351 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 -2.146 1.234 -0.904 0.00 0.00 -0.341 N ATOM 12 H LIG 1 -1.401 1.267 -0.212 0.00 0.00 +0.146 HD BRANCH 11 14 ATOM 13 C LIG 1 -3.698 2.926 -1.805 0.00 0.00 +0.028 C ATOM 14 C LIG 1 -3.241 2.158 -0.562 0.00 0.00 +0.071 C BRANCH 14 15 ATOM 15 C LIG 1 -4.382 1.474 0.244 0.00 0.00 +0.013 C ATOM 16 C LIG 1 -3.872 0.860 1.571 0.00 0.00 +0.033 C ATOM 17 C LIG 1 -4.157 1.741 2.785 0.00 0.00 +0.160 C ATOM 18 O LIG 1 -4.079 3.115 2.421 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -5.150 3.511 1.565 0.00 0.00 +0.160 C ATOM 20 C LIG 1 -5.546 2.426 0.561 0.00 0.00 +0.033 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 2.511 -3.211 -1.899 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 2.759 -3.832 -0.509 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 1.878 -4.935 -0.252 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 1.097 -4.842 -0.844 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 2.636 -2.818 0.654 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 3.444 -1.590 0.501 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 3.030 -0.590 1.505 0.00 0.00 +0.120 C ATOM 28 C LIG 1 3.880 0.663 1.496 0.00 0.00 -0.030 A ATOM 29 C LIG 1 5.181 0.643 0.959 0.00 0.00 -0.042 A ATOM 30 C LIG 1 5.967 1.804 0.988 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.477 2.969 1.577 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.200 2.986 2.135 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.704 -0.607 0.300 0.00 0.00 +0.051 C ATOM 34 C LIG 1 3.404 1.839 2.095 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.884 -1.855 0.656 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9