REMARK Name = BDB006466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.167 -0.003 1.544 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.761 0.656 0.373 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.398 0.652 0.002 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.322 1.210 -1.101 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.659 0.886 -0.927 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.768 0.146 0.235 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.833 1.223 -1.785 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.250 1.997 -2.229 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.522 0.000 0.825 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.130 -0.649 2.008 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.225 -0.635 2.355 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.528 0.053 0.954 0.00 0.00 -0.305 N ATOM 13 H LIG 1 4.212 -0.184 0.024 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.596 -0.028 1.967 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.885 -0.154 3.151 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.954 -0.095 1.215 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 6.721 -0.359 -0.074 0.00 0.00 -0.027 A ATOM 18 C LIG 1 6.499 0.389 -1.243 0.00 0.00 +0.005 A ATOM 19 C LIG 1 7.221 0.125 -2.408 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.177 -0.888 -2.423 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.414 -1.636 -1.272 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.693 -1.372 -0.105 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 6.360 2.460 1.429 0.00 0.00 +0.006 C ATOM 24 C LIG 1 6.557 1.072 2.028 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.024 -0.358 0.803 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.554 -1.597 0.104 0.00 0.00 -0.020 A ATOM 27 C LIG 1 -4.940 -1.766 -0.136 0.00 0.00 -0.013 A ATOM 28 C LIG 1 -5.388 -2.945 -0.763 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -4.496 -3.949 -1.135 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.140 -3.796 -0.880 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.674 -2.636 -0.260 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 -5.938 -0.760 0.250 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -6.422 0.162 -0.692 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -7.366 1.130 -0.323 0.00 0.00 +0.059 A ATOM 35 C LIG 1 -7.838 1.173 0.994 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -7.370 0.257 1.935 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.426 -0.703 1.565 0.00 0.00 +0.008 A BRANCH 34 38 ATOM 38 C LIG 1 -7.890 2.124 -1.290 0.00 0.00 +0.337 C ATOM 39 O LIG 1 -8.732 2.971 -1.056 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -7.328 2.016 -2.507 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 -7.763 2.723 -3.029 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9