REMARK Name = BDB022430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.140 -0.799 -0.159 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -2.005 -0.003 -0.402 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.890 -0.490 -1.112 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -0.931 -1.819 -1.563 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -2.046 -2.626 -1.327 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.144 -2.118 -0.633 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.269 0.373 -1.394 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.581 -0.062 -1.222 0.00 0.00 +0.121 A ATOM 9 N LIG 1 2.692 0.673 -1.490 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 2.520 1.925 -1.945 0.00 0.00 +0.125 A ATOM 11 C LIG 1 1.252 2.461 -2.140 0.00 0.00 +0.044 A ATOM 12 C LIG 1 0.126 1.680 -1.865 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 3.608 2.741 -2.265 0.00 0.00 -0.267 N ATOM 14 H LIG 1 3.402 3.651 -2.654 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 4.948 2.504 -2.243 0.00 0.00 +0.242 C ATOM 16 O LIG 1 5.707 3.362 -2.696 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 5.483 1.250 -1.668 0.00 0.00 +0.064 C ATOM 18 C LIG 1 6.643 0.738 -2.114 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 7.248 -0.526 -1.580 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 8.669 -0.363 -1.244 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 9.328 -1.660 -1.022 0.00 0.00 +0.085 C ATOM 22 C LIG 1 8.925 -2.345 0.287 0.00 0.00 +0.015 C ATOM 23 C LIG 1 9.127 -1.423 1.488 0.00 0.00 +0.002 C ATOM 24 C LIG 1 8.489 -0.057 1.252 0.00 0.00 +0.015 C ATOM 25 C LIG 1 8.903 0.532 -0.099 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -3.967 0.202 2.009 0.00 0.00 +0.022 C ATOM 27 C LIG 1 -4.354 -0.263 0.602 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 -5.076 0.870 -0.140 0.00 0.00 +0.225 C ATOM 29 N LIG 1 -6.416 1.087 -0.003 0.00 0.00 -0.268 N ATOM 30 H LIG 1 -6.747 1.860 -0.563 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 -4.470 1.663 -0.874 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 -7.358 0.448 0.769 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -7.129 -0.561 1.613 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 -8.333 -0.841 2.140 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -8.404 -1.587 2.824 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 -9.325 -0.042 1.662 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -8.731 0.808 0.765 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 -10.821 -0.107 2.033 0.00 0.00 +0.037 C ATOM 39 C LIG 1 -11.473 1.107 2.640 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -11.220 -0.107 3.486 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9