REMARK Name = BDB006467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.429 -1.034 -0.187 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.888 0.210 0.166 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.273 0.269 0.970 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.035 1.350 1.508 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -2.071 0.796 2.246 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -2.030 -0.577 2.066 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -3.103 1.485 3.072 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.752 2.803 1.334 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.880 -0.923 1.373 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.342 -2.175 1.030 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.812 -2.210 0.241 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 3.547 -0.116 -0.969 0.00 0.00 -0.305 N ATOM 13 H LIG 1 3.394 0.658 -0.338 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 2.642 -1.149 -1.043 0.00 0.00 +0.245 C ATOM 15 O LIG 1 2.803 -2.139 -1.749 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 4.737 -0.060 -1.812 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 5.848 0.694 -1.085 0.00 0.00 -0.027 A ATOM 18 C LIG 1 6.568 1.758 -1.647 0.00 0.00 +0.005 A ATOM 19 C LIG 1 7.586 2.396 -0.930 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.911 1.974 0.356 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.224 0.908 0.927 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.208 0.272 0.211 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 3.555 1.714 -3.285 0.00 0.00 +0.006 C ATOM 24 C LIG 1 4.362 0.419 -3.233 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.033 -1.516 2.581 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.582 -2.511 1.573 0.00 0.00 -0.020 A ATOM 27 C LIG 1 -4.241 -2.142 0.376 0.00 0.00 -0.013 A ATOM 28 C LIG 1 -4.731 -3.156 -0.471 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -4.592 -4.505 -0.148 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.966 -4.868 1.036 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.473 -3.883 1.891 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 -4.455 -0.747 -0.033 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -3.499 -0.077 -0.814 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -3.688 1.261 -1.179 0.00 0.00 +0.059 A ATOM 35 C LIG 1 -4.849 1.933 -0.781 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -5.821 1.267 -0.036 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.624 -0.065 0.335 0.00 0.00 +0.008 A BRANCH 34 38 ATOM 38 C LIG 1 -2.659 2.024 -1.927 0.00 0.00 +0.337 C ATOM 39 O LIG 1 -2.468 3.217 -1.758 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -1.989 1.294 -2.844 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 -2.312 0.383 -2.966 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9