REMARK Name = BDB001942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.305 1.777 -1.351 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.208 1.534 -0.281 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 2.470 1.299 -0.806 0.00 0.00 +0.102 A ATOM 4 N LIG 1 2.341 1.403 -2.174 0.00 0.00 -0.356 N ATOM 5 H LIG 1 3.103 1.310 -2.833 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 1.039 1.663 -2.514 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.056 4.114 -2.739 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.751 3.072 -1.928 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -1.130 2.013 -1.292 0.00 0.00 +0.080 A ATOM 10 N LIG 1 -1.794 1.107 -0.540 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -3.124 1.228 -0.441 0.00 0.00 +0.220 A ATOM 12 N LIG 1 -3.815 2.200 -1.047 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 -3.119 3.096 -1.771 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 -3.737 0.259 0.347 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -3.025 -0.363 0.697 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -5.057 -0.021 0.702 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -5.339 -1.087 1.560 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -4.378 -2.065 2.174 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -5.230 -2.684 3.289 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -6.683 -2.630 2.806 0.00 0.00 +0.036 C ATOM 21 C LIG 1 -6.654 -1.416 1.932 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -7.733 -0.689 1.468 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -7.478 0.392 0.629 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -6.160 0.719 0.256 0.00 0.00 +0.023 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 25 ATOM 25 C LIG 1 3.691 1.025 -0.077 0.00 0.00 +0.261 C ATOM 26 N LIG 1 4.700 0.476 -0.833 0.00 0.00 -0.301 N ATOM 27 H LIG 1 4.489 0.067 -1.730 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 3.825 1.259 1.120 0.00 0.00 -0.269 OA BRANCH 26 29 ATOM 29 CA LIG 1 5.937 -0.003 -0.234 0.00 0.00 +0.129 C BRANCH 29 30 ATOM 30 C LIG 1 5.771 -1.451 0.208 0.00 0.00 -0.024 A ATOM 31 C LIG 1 5.458 -1.726 1.552 0.00 0.00 +0.025 A ATOM 32 C LIG 1 5.279 -3.039 1.986 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 4.908 -3.352 3.637 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 5.398 -4.101 1.094 0.00 0.00 +0.020 A ATOM 35 C LIG 1 5.689 -3.845 -0.245 0.00 0.00 +0.002 A ATOM 36 C LIG 1 5.869 -2.530 -0.685 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 37 ATOM 37 C LIG 1 7.117 0.238 -1.204 0.00 0.00 +0.182 C BRANCH 37 38 ATOM 38 O LIG 1 6.794 -0.158 -2.545 0.00 0.00 -0.393 OA ATOM 39 H LIG 1 7.588 0.019 -3.081 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 8