REMARK Name = BDB006567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.541 3.073 -0.810 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.205 1.977 -1.490 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.329 0.723 -1.921 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.712 -0.006 -2.500 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.510 -1.293 -3.029 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.773 -1.845 -2.962 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.829 -1.143 -2.378 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.849 0.781 -2.423 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.618 0.146 -1.867 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.552 1.989 -1.821 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.570 3.054 -1.585 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.170 -1.790 -2.338 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.005 -1.396 -1.315 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.605 -0.893 -0.535 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.467 -2.646 -3.164 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.301 -2.022 -1.101 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.321 -1.593 -2.160 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.786 -1.708 0.305 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.115 -0.397 0.692 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.542 -0.103 1.998 0.00 0.00 -0.044 A ATOM 21 C LIG 1 6.633 -1.151 2.923 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.303 -2.456 2.556 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.880 -2.733 1.256 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 6.899 1.311 2.421 0.00 0.00 +0.013 C ATOM 25 C LIG 1 5.694 2.250 2.317 0.00 0.00 +0.012 C ATOM 26 C LIG 1 8.085 1.855 1.620 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.161 0.399 -2.951 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.162 0.056 -1.872 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -5.471 0.550 -1.955 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.418 0.231 -0.977 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.084 -0.593 0.108 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.782 -1.109 0.173 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.835 -0.794 -0.806 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.074 -0.905 1.151 0.00 0.00 -0.006 A ATOM 35 C LIG 1 -6.929 -0.537 2.507 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -7.879 -0.944 3.460 0.00 0.00 +0.014 A ATOM 37 C LIG 1 -8.993 -1.688 3.078 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.164 -2.037 1.744 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -8.214 -1.654 0.794 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -5.801 0.277 3.034 0.00 0.00 +0.267 C ATOM 41 N LIG 1 -5.446 1.396 2.321 0.00 0.00 -0.193 N ATOM 42 H LIG 1 -5.747 1.601 1.376 0.00 0.00 +0.183 HD ATOM 43 O LIG 1 -5.247 -0.028 4.088 0.00 0.00 -0.268 OA BRANCH 41 44 ATOM 44 O LIG 1 -4.315 2.098 2.797 0.00 0.00 -0.295 OA ATOM 45 H LIG 1 -4.054 1.559 3.577 0.00 0.00 +0.241 HD ENDBRANCH 41 44 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9