REMARK Name = BDB006375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.629 -1.215 0.650 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.934 -1.955 -0.319 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.587 -2.317 -0.095 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.623 -3.043 -0.863 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.546 -3.093 -0.118 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -0.323 -2.415 1.065 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -1.854 -3.725 -0.460 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.831 -3.640 -2.212 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.977 -1.939 1.104 0.00 0.00 +0.050 A ATOM 10 C LIG 1 1.668 -1.211 2.089 0.00 0.00 +0.027 A ATOM 11 C LIG 1 2.999 -0.861 1.844 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 5.463 -0.646 -0.851 0.00 0.00 -0.304 N ATOM 13 H LIG 1 4.765 -0.565 -1.576 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 5.048 -0.806 0.454 0.00 0.00 +0.244 C ATOM 15 O LIG 1 5.770 -0.598 1.423 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 6.760 -0.086 -1.158 0.00 0.00 +0.179 C BRANCH 16 20 ATOM 17 C LIG 1 5.840 3.806 -3.863 0.00 0.00 +0.086 C ATOM 18 C LIG 1 6.179 3.142 -2.590 0.00 0.00 +0.102 A ATOM 19 O LIG 1 6.281 1.784 -2.626 0.00 0.00 -0.463 OA ATOM 20 C LIG 1 6.603 1.374 -1.365 0.00 0.00 +0.122 A ATOM 21 C LIG 1 6.696 2.462 -0.523 0.00 0.00 +0.046 A ATOM 22 C LIG 1 6.426 3.604 -1.315 0.00 0.00 +0.045 A ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 23 ATOM 23 C LIG 1 -1.298 -2.257 2.147 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -2.358 -1.226 1.836 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -2.024 0.068 1.415 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.022 1.008 1.138 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.380 0.685 1.282 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -4.708 -0.601 1.734 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.712 -1.544 2.009 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -5.426 1.669 0.958 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -6.431 1.448 -0.008 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -7.435 2.403 -0.236 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -7.437 3.604 0.471 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.444 3.850 1.414 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.454 2.893 1.656 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -6.516 0.215 -0.827 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -7.547 -0.426 -0.943 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.380 -0.073 -1.494 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -4.633 0.526 -1.304 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 8