REMARK Name = BDB014433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.578 -0.999 -1.384 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.287 -2.072 -0.569 0.00 0.00 -0.310 N ATOM 3 H LIG 1 1.095 -2.505 -0.128 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.227 -0.507 -2.170 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 1.983 -0.423 -1.196 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 2.797 -1.316 -0.439 0.00 0.00 -0.483 OA BRANCH 6 9 ATOM 7 C LIG 1 6.017 0.602 -0.306 0.00 0.00 +0.033 A ATOM 8 C LIG 1 4.679 0.274 -0.613 0.00 0.00 +0.068 A ATOM 9 C LIG 1 4.082 -0.920 -0.184 0.00 0.00 +0.123 A ATOM 10 C LIG 1 4.822 -1.818 0.579 0.00 0.00 +0.046 A ATOM 11 C LIG 1 6.136 -1.521 0.918 0.00 0.00 +0.005 A ATOM 12 C LIG 1 6.718 -0.325 0.485 0.00 0.00 +0.023 A BRANCH 7 14 ATOM 13 C LIG 1 7.985 2.095 -0.405 0.00 0.00 +0.129 C ATOM 14 N LIG 1 6.590 1.810 -0.734 0.00 0.00 -0.336 N ATOM 15 C LIG 1 6.121 2.373 -2.002 0.00 0.00 +0.129 C ENDBRANCH 7 14 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 16 ATOM 16 C LIG 1 -0.911 -2.875 -0.730 0.00 0.00 +0.136 C BRANCH 16 17 ATOM 17 C LIG 1 -2.245 -2.136 -0.536 0.00 0.00 +0.145 C BRANCH 17 18 ATOM 18 O LIG 1 -3.310 -3.101 -0.568 0.00 0.00 -0.389 OA ATOM 19 H LIG 1 -4.059 -2.652 -0.123 0.00 0.00 +0.210 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C LIG 1 -2.313 -1.382 0.810 0.00 0.00 +0.117 C BRANCH 20 21 ATOM 21 N LIG 1 -3.676 -0.862 1.087 0.00 0.00 -0.295 NA ATOM 22 C LIG 1 -4.007 0.263 0.182 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -5.292 0.981 0.542 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -5.845 0.877 1.830 0.00 0.00 -0.042 A ATOM 25 C LIG 1 -7.019 1.573 2.143 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -7.628 2.391 1.192 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.073 2.514 -0.079 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.208 -0.033 2.847 0.00 0.00 +0.051 C ATOM 29 C LIG 1 -5.909 1.815 -0.403 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -3.763 -0.398 2.484 0.00 0.00 +0.089 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 2 16 TORSDOF 9