REMARK Name = BDB027092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.639 -1.336 -0.198 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.413 -2.730 -0.770 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.587 -3.855 0.052 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.391 -5.143 -0.450 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.031 -5.325 -1.783 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.875 -4.221 -2.618 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.071 -2.931 -2.118 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.559 -0.328 -0.686 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.807 0.454 -1.612 0.00 0.00 -0.290 OA BRANCH 8 13 ATOM 10 C LIG 1 4.151 0.857 0.536 0.00 0.00 +0.061 A ATOM 11 C LIG 1 2.908 0.201 0.540 0.00 0.00 +0.059 A ATOM 12 C LIG 1 1.851 0.571 -0.292 0.00 0.00 +0.011 A ATOM 13 C LIG 1 0.758 -0.327 -0.035 0.00 0.00 +0.044 A ATOM 14 C LIG 1 1.190 -1.192 0.958 0.00 0.00 +0.095 A ATOM 15 C LIG 1 2.042 1.674 -1.154 0.00 0.00 +0.011 A ATOM 16 C LIG 1 3.255 2.374 -1.138 0.00 0.00 +0.001 A ATOM 17 N LIG 1 2.472 -0.858 1.302 0.00 0.00 -0.359 N ATOM 18 H LIG 1 3.033 -1.291 2.029 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.291 1.977 -0.296 0.00 0.00 +0.015 A BRANCH 10 22 ATOM 20 C LIG 1 6.955 0.278 -0.376 0.00 0.00 +0.132 C ATOM 21 N LIG 1 6.553 0.417 1.018 0.00 0.00 -0.304 N ATOM 22 C LIG 1 5.228 0.403 1.451 0.00 0.00 +0.248 C ATOM 23 O LIG 1 4.897 0.024 2.576 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 7.591 0.167 2.003 0.00 0.00 +0.132 C ENDBRANCH 10 22 ENDBRANCH 8 13 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -3.004 -0.875 -0.569 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.961 -0.580 -1.548 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.443 0.255 0.256 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.843 0.713 -0.176 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 -5.312 1.917 0.613 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -5.938 1.812 1.867 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 -6.240 0.282 2.612 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 -6.338 2.956 2.563 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -6.109 4.214 2.014 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 -6.600 5.623 2.871 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -5.484 4.341 0.777 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.085 3.199 0.081 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8