REMARK Name = BDB006407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.316 4.311 -0.325 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.118 3.037 -1.071 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.095 2.017 -1.290 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.489 1.001 -2.034 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.192 -0.153 -2.422 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.532 -0.274 -2.041 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.157 0.719 -1.287 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.821 1.390 -2.260 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.452 1.874 -0.920 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.056 2.625 -1.684 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.380 3.310 -1.744 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.583 0.520 -0.907 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.986 1.103 0.276 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.301 1.519 0.890 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 5.320 -0.164 -1.607 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.330 0.923 0.785 0.00 0.00 +0.142 C BRANCH 16 17 ATOM 17 C LIG 1 6.529 -0.346 1.588 0.00 0.00 -0.000 A ATOM 18 C LIG 1 7.814 -0.876 1.832 0.00 0.00 +0.131 A ATOM 19 C LIG 1 8.005 -2.059 2.566 0.00 0.00 +0.033 A ATOM 20 C LIG 1 6.902 -2.727 3.089 0.00 0.00 +0.002 A ATOM 21 C LIG 1 5.624 -2.214 2.886 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.439 -1.038 2.149 0.00 0.00 +0.007 A BRANCH 18 23 ATOM 23 N LIG 1 9.016 -0.196 1.353 0.00 0.00 +0.057 N ATOM 24 O LIG 1 9.090 1.027 1.537 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 9.894 -0.894 0.828 0.00 0.00 -0.126 OA ENDBRANCH 18 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -1.791 0.626 -3.048 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -2.854 -0.036 -2.204 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.203 0.076 -2.571 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.203 -0.539 -1.813 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -4.881 -1.285 -0.672 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -3.531 -1.415 -0.318 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.529 -0.804 -1.078 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -5.929 -1.934 0.125 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -6.495 -1.356 1.279 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -7.463 -2.056 2.021 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -7.877 -3.326 1.623 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.331 -3.906 0.482 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.366 -3.217 -0.257 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -6.117 0.009 1.723 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -5.887 0.979 1.030 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.045 0.082 3.067 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -5.768 1.008 3.229 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9