REMARK Name = BDB056977 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.655 1.261 -0.522 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.315 1.659 0.405 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.657 1.771 0.017 0.00 0.00 +0.101 A ATOM 4 C LIG 1 2.038 1.448 -1.294 0.00 0.00 +0.135 A ATOM 5 C LIG 1 1.060 1.095 -2.230 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -0.282 1.002 -1.848 0.00 0.00 +0.016 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -2.825 0.199 -0.690 0.00 0.00 -0.279 N ATOM 8 H LIG 1 -2.359 -0.455 -1.311 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.075 1.179 -0.075 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -2.455 1.950 0.798 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 -4.708 -1.200 -1.228 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -4.196 -0.097 -0.507 0.00 0.00 +0.076 A ATOM 13 C LIG 1 -5.040 0.647 0.326 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -6.388 0.296 0.458 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -6.885 -0.804 -0.250 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -6.051 -1.550 -1.087 0.00 0.00 +0.048 A BRANCH 14 17 ATOM 17 C LIG 1 -7.326 1.060 1.334 0.00 0.00 +0.160 C ATOM 18 O LIG 1 -8.513 0.742 1.377 0.00 0.00 -0.292 OA ATOM 19 C LIG 1 -6.798 2.213 2.149 0.00 0.00 +0.091 C ENDBRANCH 14 17 BRANCH 11 20 ATOM 20 O LIG 1 -3.794 -1.855 -2.020 0.00 0.00 -0.490 OA BRANCH 20 22 ATOM 21 C LIG 1 -4.226 -4.232 -2.236 0.00 0.00 +0.048 C ATOM 22 C LIG 1 -4.255 -2.872 -2.911 0.00 0.00 +0.226 C ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 7 12 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 2.620 2.205 1.052 0.00 0.00 +0.343 C ATOM 24 O LIG 1 2.584 1.812 2.209 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 3.424 3.177 0.556 0.00 0.00 -0.464 OA ATOM 26 C LIG 1 4.329 3.724 1.512 0.00 0.00 +0.280 C ENDBRANCH 23 25 ENDBRANCH 3 23 BRANCH 4 27 ATOM 27 O LIG 1 3.356 1.527 -1.652 0.00 0.00 -0.490 OA BRANCH 27 28 ATOM 28 C LIG 1 3.908 0.324 -2.210 0.00 0.00 +0.244 C BRANCH 28 29 ATOM 29 C LIG 1 3.879 -0.891 -1.255 0.00 0.00 +0.125 C BRANCH 29 30 ATOM 30 N LIG 1 4.414 -0.631 0.091 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 4.138 -1.770 0.991 0.00 0.00 +0.099 C ATOM 32 C LIG 1 4.718 -1.560 2.406 0.00 0.00 +0.096 C ATOM 33 N LIG 1 6.169 -1.306 2.389 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 6.467 -1.067 3.334 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 6.441 -0.163 1.503 0.00 0.00 +0.096 C ATOM 36 C LIG 1 5.863 -0.347 0.081 0.00 0.00 +0.099 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 11