REMARK Name = BDB058582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.525 -1.315 -0.345 0.00 0.00 -0.220 N ATOM 2 N LIG 1 4.190 -2.497 -0.952 0.00 0.00 -0.173 NA ATOM 3 C LIG 1 2.877 -2.624 -0.777 0.00 0.00 +0.138 A ATOM 4 C LIG 1 2.314 -1.547 -0.074 0.00 0.00 -0.008 A ATOM 5 C LIG 1 3.392 -0.728 0.190 0.00 0.00 +0.120 A ENDROOT BRANCH 1 10 ATOM 6 O LIG 1 9.369 2.166 0.746 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 8.187 1.848 0.780 0.00 0.00 +0.259 A ATOM 8 C LIG 1 7.689 0.603 0.166 0.00 0.00 +0.070 A ATOM 9 C LIG 1 6.314 0.320 0.253 0.00 0.00 +0.122 A ATOM 10 C LIG 1 5.900 -0.878 -0.348 0.00 0.00 +0.180 A ATOM 11 N LIG 1 6.787 -1.717 -0.982 0.00 0.00 -0.234 NA ATOM 12 C LIG 1 8.090 -1.390 -1.033 0.00 0.00 +0.114 A ATOM 13 N LIG 1 5.445 1.216 0.915 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 5.931 2.289 1.436 0.00 0.00 +0.200 A ATOM 15 C LIG 1 8.592 -0.242 -0.474 0.00 0.00 +0.035 A ATOM 16 N LIG 1 7.246 2.628 1.393 0.00 0.00 -0.313 N ATOM 17 H LIG 1 7.579 3.483 1.817 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 0.884 -1.343 0.299 0.00 0.00 +0.053 C BRANCH 18 19 ATOM 19 C LIG 1 0.094 -0.627 -0.811 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 -1.347 -0.517 -0.524 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 -2.094 -0.217 -1.760 0.00 0.00 +0.085 C ATOM 22 C LIG 1 -3.454 0.452 -1.520 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -4.086 0.003 -0.197 0.00 0.00 -0.001 C ATOM 24 C LIG 1 -5.451 0.606 0.064 0.00 0.00 -0.038 A ATOM 25 C LIG 1 -6.338 -0.356 0.567 0.00 0.00 -0.044 A ATOM 26 C LIG 1 -7.638 -0.026 0.914 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -8.058 1.293 0.737 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.177 2.259 0.229 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.673 -1.689 0.697 0.00 0.00 +0.036 C ATOM 30 C LIG 1 -5.864 1.920 -0.107 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.473 -1.507 -0.241 0.00 0.00 +0.016 C ATOM 32 C LIG 1 -3.121 0.307 0.975 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -1.657 0.449 0.530 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4