REMARK Name = BDB016678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.171 -1.826 1.670 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.081 -1.009 2.812 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.890 -0.311 3.049 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.777 -0.400 2.223 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.204 0.454 2.824 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.289 1.049 3.924 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.858 -1.221 1.083 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.530 0.555 4.041 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.092 0.860 4.827 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.046 -1.925 0.833 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.353 0.705 -2.082 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.495 -0.017 -0.887 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.980 -1.316 -0.927 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.261 -2.348 0.127 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.426 -2.610 1.364 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.829 -3.516 -0.647 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.825 -3.159 -1.983 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.163 -3.769 -2.711 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.212 -4.567 -0.160 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.795 -1.968 1.478 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.333 -1.865 -2.168 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.209 -1.187 -3.361 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.708 0.118 -3.310 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.652 2.744 -3.092 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.861 1.972 -1.917 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.571 0.722 2.378 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.101 2.010 2.458 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.408 2.272 2.025 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.236 1.269 1.491 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.698 -0.025 1.460 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -2.389 -0.298 1.889 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -5.534 1.577 1.080 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -6.506 0.510 0.763 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -6.431 0.092 -0.726 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -6.588 1.239 -1.651 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 -6.431 0.809 -3.039 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -5.598 2.287 -1.312 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -5.692 2.736 0.168 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4