REMARK Name = BDB042101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.200 1.893 0.900 0.00 0.00 +0.120 C ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 4.713 -0.423 -0.785 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.043 0.526 -1.740 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.969 0.502 -2.527 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.046 1.598 -1.635 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.190 1.299 -0.572 0.00 0.00 -0.014 A ATOM 7 C LIG 1 2.146 2.159 -0.248 0.00 0.00 -0.028 A ATOM 8 C LIG 1 2.002 3.320 -1.036 0.00 0.00 +0.005 A ATOM 9 C LIG 1 2.875 3.603 -2.102 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.919 2.734 -2.411 0.00 0.00 +0.013 A ATOM 11 C LIG 1 3.613 0.015 0.064 0.00 0.00 +0.145 C BRANCH 2 18 ATOM 12 O LIG 1 7.208 -4.401 2.032 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 6.799 -3.569 1.228 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.178 -2.253 1.315 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.734 -2.031 2.130 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.487 -1.187 0.785 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.585 -0.072 1.294 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.613 -1.515 -0.437 0.00 0.00 +0.163 C ATOM 19 C LIG 1 4.870 -2.822 -0.177 0.00 0.00 +0.041 C ATOM 20 C LIG 1 5.876 -3.932 0.088 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 N LIG 1 -0.198 1.748 0.473 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -0.404 0.569 -0.386 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -1.792 -0.070 -0.274 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -2.873 0.994 -0.050 0.00 0.00 +0.083 C ATOM 25 C LIG 1 -2.548 1.943 1.117 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -1.114 1.768 1.615 0.00 0.00 +0.086 C BRANCH 24 27 ATOM 27 N LIG 1 -4.244 0.413 0.044 0.00 0.00 -0.282 N BRANCH 27 28 ATOM 28 C LIG 1 -4.564 -0.385 1.171 0.00 0.00 +0.126 A ATOM 29 N LIG 1 -3.625 -0.676 2.103 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -3.976 -1.423 3.175 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -5.249 -1.907 3.397 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -6.223 -1.600 2.464 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.880 -0.833 1.351 0.00 0.00 +0.044 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.899 0.353 -1.214 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -5.270 1.533 -1.878 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -5.914 1.487 -3.116 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -6.195 0.260 -3.711 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.834 -0.922 -3.067 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -5.192 -0.875 -1.828 0.00 0.00 +0.023 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6