REMARK Name = BDB010867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.917 -0.438 -0.713 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.760 -1.191 -0.529 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.839 -2.446 0.045 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.372 -3.064 0.065 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 1.230 -2.207 -0.465 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -1.973 -3.005 0.495 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.029 -2.197 0.327 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.591 -1.007 -0.747 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -3.059 -0.978 -0.246 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.683 -2.472 -0.750 0.00 0.00 +0.215 C ATOM 11 C LIG 1 3.142 -3.873 -0.518 0.00 0.00 -0.006 A ATOM 12 C LIG 1 3.942 -3.912 0.616 0.00 0.00 -0.016 A ATOM 13 C LIG 1 4.503 -5.096 1.062 0.00 0.00 +0.006 A ATOM 14 C LIG 1 4.253 -6.260 0.333 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.446 -6.224 -0.816 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.013 -2.554 1.206 0.00 0.00 +0.196 C ATOM 17 C LIG 1 2.882 -5.022 -1.249 0.00 0.00 +0.007 A ATOM 18 O LIG 1 3.462 -1.685 0.187 0.00 0.00 -0.360 OA ENDBRANCH 5 10 BRANCH 7 19 ATOM 19 C LIG 1 -4.316 -2.737 0.818 0.00 0.00 +0.220 A ATOM 20 N LIG 1 -4.339 -3.947 1.402 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -3.556 -4.563 1.555 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -5.609 -4.190 1.746 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -6.025 -5.195 2.300 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -6.375 -3.114 1.368 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -5.480 -2.175 0.758 0.00 0.00 -0.051 NA ENDBRANCH 7 19 BRANCH 1 26 ATOM 26 N LIG 1 -1.917 0.797 -1.358 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.423 0.720 -2.241 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -3.095 2.471 -2.662 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -3.207 1.497 -1.484 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -3.562 2.206 -0.162 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -2.700 3.399 0.329 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.825 4.352 -0.110 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.789 3.154 -0.116 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 1.221 0.226 -1.196 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.144 1.395 -0.187 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.533 2.730 -0.860 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.945 3.181 -0.500 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.129 3.369 1.016 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.874 4.817 1.438 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.248 2.413 1.840 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.976 1.121 1.079 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 7