REMARK Name = BDB024361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.968 -1.467 -1.460 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.779 -2.660 -2.386 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.252 -3.926 -2.004 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.082 -5.032 -2.839 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.445 -4.886 -4.070 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.985 -3.634 -4.471 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.154 -2.527 -3.638 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.183 -1.289 -0.312 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.090 -2.175 0.093 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.627 -0.704 -1.261 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.363 0.315 -1.900 0.00 0.00 -0.273 OA BRANCH 8 17 ATOM 12 C LIG 1 -3.983 1.907 -0.163 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -3.316 0.636 0.288 0.00 0.00 -0.038 A ATOM 14 C LIG 1 -3.897 -0.236 1.218 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.173 -1.373 1.569 0.00 0.00 +0.121 A ATOM 16 N LIG 1 -1.958 -1.700 1.065 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 -1.426 -0.865 0.152 0.00 0.00 +0.125 A ATOM 18 C LIG 1 -2.064 0.298 -0.257 0.00 0.00 +0.047 A BRANCH 14 19 ATOM 19 C LIG 1 -5.188 -0.008 1.829 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -6.380 0.088 1.143 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -7.347 0.262 2.090 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -8.764 0.420 1.867 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -6.871 0.266 3.349 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -5.556 0.096 3.188 0.00 0.00 +0.143 A ENDBRANCH 14 19 ENDBRANCH 8 17 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 3.014 -0.571 -2.001 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.565 0.079 -2.650 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.773 0.152 -0.976 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 3.104 1.407 -0.362 0.00 0.00 +0.030 C ATOM 29 C LIG 1 2.911 2.530 -1.389 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 3.900 1.913 0.837 0.00 0.00 -0.043 A ATOM 31 C LIG 1 5.224 2.360 0.708 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.935 2.817 1.821 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.332 2.834 3.081 0.00 0.00 +0.052 A ATOM 34 C LIG 1 4.013 2.393 3.221 0.00 0.00 +0.019 A ATOM 35 C LIG 1 3.303 1.936 2.108 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 6.060 3.303 4.223 0.00 0.00 +0.099 C ATOM 37 N LIG 1 6.651 3.680 5.148 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9