REMARK Name = BDB006155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.182 0.365 -0.198 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.628 1.774 0.025 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -0.695 2.515 0.797 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.682 3.718 1.012 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.279 1.538 1.228 0.00 0.00 +0.153 A ATOM 6 N LIG 1 1.363 1.565 1.992 0.00 0.00 -0.166 NA ATOM 7 N LIG 1 1.819 0.286 1.913 0.00 0.00 -0.265 N ATOM 8 C LIG 1 1.073 -0.522 1.058 0.00 0.00 +0.048 A ATOM 9 C LIG 1 0.035 0.292 0.656 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.646 -1.445 -2.103 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.857 -1.523 -0.614 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.182 -0.668 0.294 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -2.510 -0.763 1.667 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.433 -1.699 2.135 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.059 -2.552 1.238 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.197 -3.710 1.807 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.781 -2.466 -0.124 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -2.344 2.418 -1.015 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.749 2.377 -1.061 0.00 0.00 -0.029 A ATOM 20 C LIG 1 -4.586 1.742 0.014 0.00 0.00 +0.045 C ATOM 21 C LIG 1 -4.409 2.961 -2.156 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -3.692 3.607 -3.163 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.306 3.677 -3.085 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 -1.418 4.474 -4.325 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -1.629 3.090 -2.018 0.00 0.00 +0.043 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 1.438 -1.944 0.731 0.00 0.00 +0.032 C ATOM 27 C LIG 1 1.237 -2.262 -0.751 0.00 0.00 +0.014 C ATOM 28 C LIG 1 0.668 -2.930 1.608 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 2.981 -0.064 2.711 0.00 0.00 +0.162 C BRANCH 29 30 ATOM 30 C LIG 1 4.265 0.617 2.237 0.00 0.00 +0.131 C BRANCH 30 31 ATOM 31 N LIG 1 4.741 0.186 0.929 0.00 0.00 -0.300 N ATOM 32 C LIG 1 5.227 -1.086 0.673 0.00 0.00 +0.216 C ATOM 33 O LIG 1 5.415 -1.966 1.496 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 5.398 -1.224 -0.820 0.00 0.00 +0.097 C ATOM 35 C LIG 1 5.299 0.215 -1.315 0.00 0.00 +0.028 C ATOM 36 C LIG 1 4.418 0.893 -0.284 0.00 0.00 +0.108 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 6