REMARK Name = BDB055050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.074 -0.466 -0.419 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -1.078 0.160 0.479 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.277 0.872 -0.210 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.872 1.488 -1.553 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.157 0.478 -2.464 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.717 1.244 -3.734 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.088 -0.033 -1.733 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.167 -0.113 -2.320 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.623 -0.854 1.492 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.712 -0.511 2.852 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.225 -1.419 3.781 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.652 -2.675 3.359 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -3.284 -3.792 4.504 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -2.573 -3.033 2.015 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.063 -2.125 1.084 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.931 1.923 0.687 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.243 3.076 1.103 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.865 4.008 1.934 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -2.004 5.412 2.436 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.174 3.811 2.366 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.867 2.671 1.964 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.251 1.734 1.131 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.147 -1.006 0.252 0.00 0.00 +0.185 C BRANCH 23 25 ATOM 24 C LIG 1 2.218 -2.630 -1.526 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.545 -2.436 -0.176 0.00 0.00 +0.030 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.275 0.047 0.346 0.00 0.00 +0.328 C ATOM 27 O LIG 1 2.064 1.255 0.405 0.00 0.00 -0.249 OA BRANCH 26 28 ATOM 28 O LIG 1 3.493 -0.543 0.466 0.00 0.00 -0.458 OA BRANCH 28 29 ATOM 29 C LIG 1 4.702 0.254 0.549 0.00 0.00 +0.105 C ATOM 30 C LIG 1 5.841 -0.775 0.618 0.00 0.00 +0.055 C ATOM 31 C LIG 1 4.726 1.097 1.829 0.00 0.00 +0.055 C ATOM 32 C LIG 1 4.891 1.110 -0.708 0.00 0.00 +0.055 C ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -2.074 -0.693 -2.881 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -1.340 -1.929 -3.324 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -1.150 -2.920 -2.640 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -0.903 -1.860 -4.591 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -0.397 -2.689 -4.724 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10