REMARK Name = BDB065422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.358 -1.415 -0.974 0.00 0.00 +0.035 A ATOM 2 C LIG 1 3.118 -1.081 -0.423 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.960 -1.421 -1.114 0.00 0.00 +0.010 A ATOM 4 C LIG 1 0.531 -1.136 -0.743 0.00 0.00 +0.216 C ATOM 5 C LIG 1 0.133 0.311 -0.901 0.00 0.00 +0.273 C ATOM 6 O LIG 1 0.097 0.952 -1.940 0.00 0.00 -0.270 OA ATOM 7 N LIG 1 -0.167 0.766 0.342 0.00 0.00 -0.195 N ATOM 8 C LIG 1 -0.008 -0.223 1.248 0.00 0.00 +0.411 C ATOM 9 O LIG 1 -0.103 -0.112 2.460 0.00 0.00 -0.226 OA ATOM 10 O LIG 1 0.273 -1.406 0.631 0.00 0.00 -0.429 OA ATOM 11 C LIG 1 -0.235 -2.089 -1.670 0.00 0.00 +0.067 C ATOM 12 C LIG 1 0.654 -2.305 -2.905 0.00 0.00 +0.040 C ATOM 13 C LIG 1 2.022 -2.095 -2.337 0.00 0.00 -0.040 A ATOM 14 C LIG 1 3.238 -2.437 -2.897 0.00 0.00 +0.006 A ATOM 15 C LIG 1 4.406 -2.100 -2.206 0.00 0.00 +0.023 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 8.239 -1.026 0.723 0.00 0.00 +0.129 C ATOM 17 N LIG 1 7.097 -0.271 1.177 0.00 0.00 -0.302 N ATOM 18 H LIG 1 7.191 0.284 2.019 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 5.802 -0.336 0.748 0.00 0.00 +0.304 C ATOM 20 N LIG 1 5.590 -1.111 -0.360 0.00 0.00 -0.269 N ATOM 21 H LIG 1 6.415 -1.407 -0.854 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 4.957 0.293 1.377 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 7 23 ATOM 23 C LIG 1 -0.321 2.165 0.670 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -1.619 2.835 0.195 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -2.871 2.382 0.623 0.00 0.00 -0.284 N ATOM 26 O LIG 1 -1.537 3.846 -0.511 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 -4.033 3.279 0.300 0.00 0.00 +0.177 C ATOM 28 C LIG 1 -5.354 2.531 0.091 0.00 0.00 +0.037 C BRANCH 27 29 ATOM 29 C LIG 1 -4.228 4.421 1.324 0.00 0.00 +0.408 C ATOM 30 F LIG 1 -3.085 5.097 1.569 0.00 0.00 -0.169 F ATOM 31 F LIG 1 -4.666 3.937 2.512 0.00 0.00 -0.169 F ATOM 32 F LIG 1 -5.148 5.314 0.892 0.00 0.00 -0.169 F ENDBRANCH 27 29 ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 C LIG 1 -3.042 1.394 1.692 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -3.300 -0.021 1.215 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -3.397 -1.038 2.183 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -3.647 -2.361 1.811 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -3.813 -2.673 0.470 0.00 0.00 +0.123 A ATOM 38 F LIG 1 -4.057 -3.940 0.110 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -3.725 -1.690 -0.505 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -3.458 -0.369 -0.137 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7