REMARK Name = BDB056144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.982 0.420 -0.171 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.571 -0.783 -0.264 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -1.690 -1.774 -0.452 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.318 -1.657 -0.561 0.00 0.00 +0.148 A ATOM 5 N LIG 1 0.271 -2.892 -0.736 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -0.734 -3.742 -0.737 0.00 0.00 +0.202 A ATOM 7 C LIG 1 0.213 -0.360 -0.464 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -1.942 -3.114 -0.572 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -0.658 0.664 -0.263 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.248 -3.739 -0.513 0.00 0.00 +0.090 C ATOM 11 C LIG 1 -3.440 -4.600 0.747 0.00 0.00 +0.025 C ATOM 12 C LIG 1 -4.190 -5.835 0.270 0.00 0.00 +0.002 C ATOM 13 C LIG 1 -3.638 -6.064 -1.126 0.00 0.00 +0.002 C ATOM 14 C LIG 1 -3.552 -4.660 -1.709 0.00 0.00 +0.025 C ENDBRANCH 8 10 BRANCH 1 15 ATOM 15 N LIG 1 -2.753 1.560 0.038 0.00 0.00 -0.311 N ATOM 16 H LIG 1 -2.135 2.324 -0.223 0.00 0.00 +0.149 HD BRANCH 15 20 ATOM 17 C LIG 1 -5.056 3.190 1.518 0.00 0.00 +0.051 C ATOM 18 C LIG 1 -5.915 1.979 1.163 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -5.133 0.955 0.330 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -4.067 1.568 -0.602 0.00 0.00 +0.073 C ATOM 21 C LIG 1 -4.432 3.014 -0.966 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -4.600 3.931 0.252 0.00 0.00 +0.020 C BRANCH 17 23 ATOM 23 N LIG 1 -5.790 4.095 2.403 0.00 0.00 -0.327 NA ATOM 24 H LIG 1 -5.210 4.905 2.617 0.00 0.00 +0.118 HD ATOM 25 H LIG 1 -6.617 4.454 1.928 0.00 0.00 +0.118 HD ENDBRANCH 17 23 ENDBRANCH 15 20 ENDBRANCH 1 15 BRANCH 7 26 ATOM 26 N LIG 1 1.590 -0.124 -0.575 0.00 0.00 -0.323 N ATOM 27 H LIG 1 2.092 -1.001 -0.441 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 2.069 0.985 0.229 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 C LIG 1 3.567 1.094 0.110 0.00 0.00 -0.012 A ATOM 30 C LIG 1 4.373 1.171 1.235 0.00 0.00 +0.116 A ATOM 31 N LIG 1 5.723 1.296 1.202 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 6.336 1.338 -0.016 0.00 0.00 +0.074 A ATOM 33 C LIG 1 5.593 1.290 -1.195 0.00 0.00 +0.029 A ATOM 34 C LIG 1 4.204 1.170 -1.129 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 C LIG 1 7.815 1.463 0.017 0.00 0.00 +0.042 A ATOM 36 C LIG 1 8.501 2.004 1.127 0.00 0.00 +0.126 A ATOM 37 C LIG 1 9.890 2.150 1.146 0.00 0.00 +0.046 A ATOM 38 C LIG 1 10.646 1.738 0.054 0.00 0.00 +0.004 A ATOM 39 C LIG 1 10.010 1.179 -1.049 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.616 1.042 -1.065 0.00 0.00 +0.013 A BRANCH 36 41 ATOM 41 O LIG 1 7.848 2.420 2.261 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 6.923 2.101 2.170 0.00 0.00 +0.292 HD ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 9