REMARK Name = BDB028876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.361 2.712 -2.320 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.421 1.644 -1.445 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.894 1.334 -1.105 0.00 0.00 -0.200 N ATOM 4 C LIG 1 1.195 0.281 -0.208 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.164 -0.419 0.298 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.232 -0.038 -0.119 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.786 2.166 -1.718 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.482 0.950 -0.942 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 1.020 2.984 -2.438 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.756 4.788 -2.330 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.512 3.420 -2.970 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.321 3.562 -4.482 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.276 -0.776 0.404 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.039 -1.700 0.745 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.636 -0.652 -0.110 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -4.629 -1.374 0.816 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -6.037 -1.375 0.195 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -7.085 -1.936 1.175 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -7.061 -1.269 2.475 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -7.759 -1.692 3.088 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -5.743 -1.359 3.097 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -4.671 -0.726 2.211 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -6.032 -2.150 -1.005 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -5.929 -3.086 -0.765 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.549 0.050 0.070 0.00 0.00 -0.322 N ATOM 26 H LIG 1 3.104 0.824 -0.320 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.064 -0.365 1.371 0.00 0.00 +0.177 C BRANCH 27 28 ATOM 28 C LIG 1 4.541 -0.624 1.391 0.00 0.00 +0.128 A ATOM 29 N LIG 1 5.181 -1.486 0.525 0.00 0.00 -0.329 N ATOM 30 C LIG 1 4.549 -2.281 -0.502 0.00 0.00 +0.150 C ATOM 31 C LIG 1 6.528 -1.457 0.804 0.00 0.00 +0.069 A ATOM 32 C LIG 1 6.634 -0.569 1.870 0.00 0.00 +0.089 A ATOM 33 C LIG 1 7.895 -0.296 2.420 0.00 0.00 +0.030 A ATOM 34 C LIG 1 9.020 -0.929 1.877 0.00 0.00 +0.002 A ATOM 35 C LIG 1 8.891 -1.817 0.808 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.641 -2.098 0.245 0.00 0.00 +0.028 A ATOM 37 N LIG 1 5.406 -0.071 2.222 0.00 0.00 -0.231 NA ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8