REMARK Name = BDB005155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.510 -0.442 3.163 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -0.855 -1.394 2.012 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.406 -1.980 1.384 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.416 -1.153 0.851 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.566 -1.694 0.271 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.707 -3.085 0.221 0.00 0.00 +0.023 A ATOM 7 C LIG 1 1.713 -3.920 0.735 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.568 -3.370 1.310 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 3.605 -0.919 -0.287 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.388 -1.444 -0.654 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 3.701 0.460 -0.317 0.00 0.00 +0.248 C ATOM 12 O LIG 1 2.927 1.267 0.184 0.00 0.00 -0.270 OA BRANCH 11 13 ATOM 13 C LIG 1 4.904 0.986 -1.019 0.00 0.00 +0.041 A ATOM 14 C LIG 1 5.544 2.116 -0.493 0.00 0.00 +0.061 A ATOM 15 C LIG 1 6.665 2.625 -1.136 0.00 0.00 +0.153 A ATOM 16 C LIG 1 7.143 2.028 -2.299 0.00 0.00 +0.165 A ATOM 17 F LIG 1 8.226 2.537 -2.905 0.00 0.00 -0.202 F ATOM 18 C LIG 1 6.506 0.917 -2.841 0.00 0.00 +0.043 A ATOM 19 C LIG 1 5.379 0.394 -2.202 0.00 0.00 +0.016 A BRANCH 15 20 ATOM 20 O LIG 1 7.284 3.719 -0.603 0.00 0.00 -0.504 OA ATOM 21 H LIG 1 8.029 3.945 -1.191 0.00 0.00 +0.292 HD ENDBRANCH 15 20 ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 22 ATOM 22 N LIG 1 -1.602 -0.709 0.954 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -1.138 0.150 0.675 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.973 -0.475 1.157 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -3.720 0.181 0.154 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.088 0.393 0.420 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -5.848 1.062 -0.563 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.267 1.494 -1.772 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.926 1.265 -2.030 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.633 -0.043 1.578 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -4.839 -0.686 2.442 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -3.160 0.612 -1.075 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -3.539 -0.926 2.285 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -7.307 1.362 -0.409 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.946 1.918 -1.296 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -7.927 1.003 0.751 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -8.916 1.176 0.852 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -7.420 0.509 1.480 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 2 22 TORSDOF 7