REMARK Name = BDB005276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.787 0.641 -0.585 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.842 -0.275 -0.104 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.297 0.449 0.081 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.703 0.253 0.513 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.175 1.676 0.408 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.187 2.556 -0.115 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.275 3.746 -0.371 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.017 1.729 -0.270 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.263 1.862 -0.679 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.539 2.049 0.572 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.329 1.616 1.658 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.779 0.892 2.855 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.702 1.933 1.682 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.278 2.713 0.681 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.484 3.191 -0.351 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.186 4.164 -1.585 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.128 2.871 -0.405 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.455 -0.721 -0.394 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -2.888 -1.998 0.037 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.711 -2.529 1.435 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.577 -2.834 -0.866 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.811 -2.439 -2.180 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.643 -3.490 -3.257 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.369 -1.202 -2.623 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.698 -0.355 -1.740 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 4.264 0.863 -0.217 0.00 0.00 +0.055 A ATOM 27 C LIG 1 3.175 0.350 -0.939 0.00 0.00 +0.039 A ATOM 28 C LIG 1 3.456 -0.417 -2.075 0.00 0.00 +0.018 A ATOM 29 C LIG 1 4.772 -0.721 -2.408 0.00 0.00 +0.068 A ATOM 30 C LIG 1 5.779 -0.230 -1.600 0.00 0.00 +0.215 A ATOM 31 N LIG 1 5.556 0.547 -0.520 0.00 0.00 -0.217 NA BRANCH 26 33 ATOM 32 C LIG 1 3.758 1.137 2.247 0.00 0.00 +0.010 C ATOM 33 C LIG 1 4.108 1.823 0.938 0.00 0.00 +0.053 C ENDBRANCH 26 33 BRANCH 30 34 ATOM 34 O LIG 1 7.069 -0.570 -1.953 0.00 0.00 -0.480 OA ATOM 35 C LIG 1 8.050 0.022 -1.108 0.00 0.00 +0.279 C ENDBRANCH 30 34 ENDBRANCH 1 27 BRANCH 2 36 ATOM 36 C LIG 1 0.969 -1.701 0.176 0.00 0.00 +0.083 C ATOM 37 C LIG 1 2.183 -2.098 1.014 0.00 0.00 +0.030 C ATOM 38 C LIG 1 0.839 -2.567 -1.077 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6