REMARK Name = BDB004762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.137 -0.103 3.386 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.297 1.153 2.665 0.00 0.00 -0.029 A ATOM 3 C LIG 1 1.051 1.073 1.483 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.435 2.226 0.784 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.053 3.471 1.281 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.297 3.565 2.453 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.083 2.414 3.140 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 2.191 2.038 -0.393 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.391 1.071 -0.624 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 2.678 3.006 -1.251 0.00 0.00 +0.251 C ATOM 11 O LIG 1 2.524 4.217 -1.127 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 3.462 2.522 -2.431 0.00 0.00 +0.072 A ATOM 13 C LIG 1 3.705 1.167 -2.688 0.00 0.00 +0.138 A ATOM 14 F LIG 1 3.233 0.213 -1.870 0.00 0.00 -0.205 F ATOM 15 C LIG 1 4.442 0.762 -3.798 0.00 0.00 +0.077 A ATOM 16 C LIG 1 4.945 1.722 -4.665 0.00 0.00 +0.126 A ATOM 17 F LIG 1 5.655 1.338 -5.733 0.00 0.00 -0.205 F ATOM 18 C LIG 1 4.722 3.075 -4.440 0.00 0.00 +0.039 A ATOM 19 C LIG 1 3.981 3.476 -3.324 0.00 0.00 +0.019 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.447 -0.538 2.912 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.002 0.263 2.621 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 -3.946 -3.322 -0.170 0.00 0.00 +0.063 A ATOM 23 C LIG 1 -2.709 -2.905 0.366 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -2.734 -1.931 1.384 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -1.485 -1.513 1.895 0.00 0.00 +0.130 A ATOM 26 N LIG 1 -0.330 -2.050 1.473 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -0.411 -2.973 0.518 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -3.974 -1.427 1.854 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -5.180 -1.855 1.317 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -1.532 -3.413 -0.063 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.164 -2.799 0.303 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 -2.926 -4.850 -1.807 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -3.000 -5.574 -2.506 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -2.015 -4.594 -1.438 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 -4.066 -4.341 -1.261 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -5.160 -4.719 -1.668 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 6