REMARK Name = BDB005238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.337 0.568 -0.511 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.260 -0.228 -0.926 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.835 0.298 -0.313 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.304 0.106 -0.222 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.637 1.267 0.671 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.509 2.044 1.032 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.451 3.080 1.673 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.400 1.372 0.401 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.938 1.535 0.310 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.974 1.611 1.005 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.361 1.994 2.307 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.437 1.992 3.496 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.700 2.367 2.547 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.654 2.320 1.534 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.276 1.906 0.265 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -7.444 1.837 -0.997 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.952 1.556 -0.001 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.729 -1.217 0.411 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -3.697 -2.072 -0.169 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -4.430 -1.759 -1.447 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -4.059 -3.259 0.501 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.469 -3.611 1.712 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.928 -5.071 2.496 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.517 -2.785 2.289 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.156 -1.599 1.649 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 3.179 0.671 -2.212 0.00 0.00 +0.131 A ATOM 27 C LIG 1 2.731 0.381 -0.912 0.00 0.00 +0.060 A ATOM 28 C LIG 1 3.654 -0.071 0.038 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.992 -0.249 -0.322 0.00 0.00 +0.038 A ATOM 30 C LIG 1 5.422 -0.010 -1.632 0.00 0.00 +0.016 A ATOM 31 C LIG 1 4.510 0.453 -2.580 0.00 0.00 +0.047 A BRANCH 29 32 ATOM 32 C LIG 1 5.938 -0.770 0.686 0.00 0.00 +0.246 C ATOM 33 N LIG 1 7.050 -0.000 1.028 0.00 0.00 -0.304 N ATOM 34 C LIG 1 7.969 -0.556 2.005 0.00 0.00 +0.132 C ATOM 35 C LIG 1 7.120 1.444 0.843 0.00 0.00 +0.132 C ATOM 36 O LIG 1 5.696 -1.878 1.159 0.00 0.00 -0.270 OA ENDBRANCH 29 32 BRANCH 26 38 ATOM 37 C LIG 1 2.244 2.529 -3.180 0.00 0.00 +0.277 C ATOM 38 O LIG 1 2.306 1.100 -3.181 0.00 0.00 -0.494 OA ENDBRANCH 26 38 ENDBRANCH 1 27 BRANCH 2 39 ATOM 39 C LIG 1 0.348 -1.365 -1.836 0.00 0.00 +0.083 C ATOM 40 C LIG 1 -0.562 -1.213 -3.053 0.00 0.00 +0.030 C ATOM 41 C LIG 1 0.139 -2.702 -1.129 0.00 0.00 +0.030 C ENDBRANCH 2 39 TORSDOF 6