REMARK Name = BDB006543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.440 2.917 1.316 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.163 1.556 1.258 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.333 0.435 0.523 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.539 -0.634 0.739 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.338 -1.889 0.136 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.776 -2.057 -0.692 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.673 -1.011 -0.910 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.538 -0.179 1.585 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.452 0.242 -0.319 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.313 1.144 1.917 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.215 1.922 2.814 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.842 -1.257 -1.801 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.958 -0.480 -1.563 0.00 0.00 -0.303 N ATOM 14 H LIG 1 4.030 -0.078 -0.638 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.789 -2.130 -2.659 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.231 -0.756 -2.227 0.00 0.00 +0.119 C ATOM 17 C LIG 1 5.181 -0.478 -3.734 0.00 0.00 +0.034 C BRANCH 16 18 ATOM 18 C LIG 1 6.349 0.036 -1.557 0.00 0.00 +0.061 A ATOM 19 N LIG 1 7.236 -0.671 -0.810 0.00 0.00 -0.254 NA ATOM 20 C LIG 1 8.243 -0.027 -0.163 0.00 0.00 +0.045 A ATOM 21 C LIG 1 8.356 1.361 -0.254 0.00 0.00 +0.023 A ATOM 22 C LIG 1 7.438 2.090 -1.003 0.00 0.00 +0.004 A ATOM 23 C LIG 1 6.416 1.422 -1.661 0.00 0.00 +0.025 A BRANCH 20 24 ATOM 24 C LIG 1 9.197 -0.893 0.636 0.00 0.00 +0.038 C ATOM 25 C LIG 1 9.792 -0.430 1.944 0.00 0.00 +0.010 C ATOM 26 C LIG 1 10.671 -0.578 0.734 0.00 0.00 +0.010 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.636 -1.004 2.092 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.959 -0.701 1.429 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -5.093 -0.447 2.213 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.331 -0.189 1.616 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.472 -0.190 0.220 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.338 -0.454 -0.560 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.099 -0.712 0.034 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.772 0.096 -0.408 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -8.896 -0.744 -0.280 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -10.136 -0.382 -0.830 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -10.264 0.807 -1.545 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.159 1.638 -1.705 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.929 1.288 -1.140 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -8.849 -2.032 0.439 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -9.629 -2.394 1.300 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -7.881 -2.832 -0.035 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.958 -3.652 0.494 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9