REMARK Name = BDB008251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.468 -0.795 0.408 0.00 0.00 +0.128 A ATOM 2 N LIG 1 1.321 0.413 0.974 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.088 0.941 1.062 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.040 0.289 0.598 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.896 -0.957 -0.021 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.390 -1.506 -0.097 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.045 -1.700 -0.528 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.974 -1.252 -1.460 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -4.028 -2.084 -1.809 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -4.795 -1.360 -2.748 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -4.259 -0.159 -2.999 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -6.043 -1.785 -3.421 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -4.206 -3.322 -1.303 0.00 0.00 -0.229 NA ATOM 14 C LIG 1 -3.258 -3.698 -0.435 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -3.380 -5.066 0.164 0.00 0.00 +0.088 C ATOM 16 N LIG 1 -3.153 -0.124 -2.221 0.00 0.00 -0.263 N ATOM 17 C LIG 1 -2.302 1.038 -2.322 0.00 0.00 +0.173 C ATOM 18 N LIG 1 -2.198 -2.960 -0.046 0.00 0.00 -0.230 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 3.933 -0.794 0.664 0.00 0.00 +0.235 C ATOM 20 N LIG 1 2.729 -1.381 0.315 0.00 0.00 -0.269 N ATOM 21 H LIG 1 2.819 -2.290 -0.127 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 4.105 0.341 1.095 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 5.102 -1.799 0.498 0.00 0.00 +0.137 C ATOM 24 C LIG 1 6.464 -1.111 0.518 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 5.056 -2.005 -1.959 0.00 0.00 +0.101 C ATOM 26 N LIG 1 4.879 -2.688 -0.678 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 5.566 -3.444 -0.631 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 N LIG 1 0.088 2.201 1.658 0.00 0.00 -0.265 N ATOM 29 H LIG 1 1.009 2.438 2.005 0.00 0.00 +0.157 HD ATOM 30 C LIG 1 -0.969 3.073 1.803 0.00 0.00 +0.268 C ATOM 31 O LIG 1 -2.114 2.877 1.410 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 -0.629 4.364 2.490 0.00 0.00 +0.126 A ATOM 33 N LIG 1 -1.559 4.838 3.359 0.00 0.00 -0.249 NA ATOM 34 C LIG 1 -1.277 6.006 3.984 0.00 0.00 +0.131 A ATOM 35 C LIG 1 -0.109 6.726 3.783 0.00 0.00 +0.059 A ATOM 36 CL LIG 1 0.175 8.199 4.614 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 0.829 6.227 2.885 0.00 0.00 +0.024 A ATOM 38 C LIG 1 0.568 5.027 2.221 0.00 0.00 +0.034 A ENDBRANCH 30 32 ENDBRANCH 3 28 TORSDOF 6