REMARK Name = BDB005768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.489 -1.459 -0.384 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.442 -0.444 -0.288 0.00 0.00 -0.310 N ATOM 3 C LIG 1 1.679 -1.023 -0.052 0.00 0.00 +0.096 A ATOM 4 C LIG 1 1.386 -2.384 0.054 0.00 0.00 +0.095 A ATOM 5 C LIG 1 2.389 -3.309 0.336 0.00 0.00 +0.061 A ATOM 6 C LIG 1 3.652 -2.779 0.494 0.00 0.00 +0.112 A ATOM 7 N LIG 1 3.966 -1.461 0.384 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 2.991 -0.558 0.098 0.00 0.00 +0.099 A ATOM 9 N LIG 1 0.058 -2.627 -0.161 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 4.788 -3.665 0.799 0.00 0.00 +0.201 A ATOM 11 N LIG 1 6.010 -3.136 0.941 0.00 0.00 -0.270 N ATOM 12 H LIG 1 6.262 -2.165 0.860 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 6.843 -4.150 1.207 0.00 0.00 +0.440 A ATOM 14 O LIG 1 8.045 -4.063 1.398 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 6.114 -5.315 1.229 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.755 -4.947 0.953 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 3.434 0.817 -0.048 0.00 0.00 +0.022 A ATOM 18 C LIG 1 3.583 1.417 -1.306 0.00 0.00 +0.033 A ATOM 19 C LIG 1 4.020 2.735 -1.397 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 4.183 3.493 -2.927 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 4.309 3.419 -0.227 0.00 0.00 +0.130 A ATOM 22 N LIG 1 4.197 2.873 1.006 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 3.780 1.585 1.063 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -2.211 -1.668 -2.044 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -1.792 -1.209 -0.682 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -2.759 -1.781 0.287 0.00 0.00 +0.140 C ATOM 27 C LIG 1 -4.023 -2.072 -0.528 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -3.416 -2.588 -1.821 0.00 0.00 +0.058 C BRANCH 27 29 ATOM 29 O LIG 1 -4.868 -3.071 0.033 0.00 0.00 -0.378 OA ATOM 30 C LIG 1 -5.570 -2.617 1.181 0.00 0.00 +0.194 C ENDBRANCH 27 29 BRANCH 24 31 ATOM 31 C LIG 1 -2.553 -0.442 -2.916 0.00 0.00 +0.182 C BRANCH 31 33 ATOM 32 C LIG 1 -2.167 -1.296 -5.106 0.00 0.00 +0.194 C ATOM 33 O LIG 1 -3.117 -0.776 -4.186 0.00 0.00 -0.381 OA ENDBRANCH 31 33 ENDBRANCH 24 31 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 0.144 0.974 -0.410 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.088 1.719 0.938 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.174 1.339 1.737 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.532 2.415 2.755 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.908 3.735 2.060 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.691 4.912 3.012 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -1.154 3.937 0.733 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.205 3.244 0.732 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8