REMARK Name = BDB061374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.566 -0.504 0.870 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.585 -1.164 1.506 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.390 -0.456 2.077 0.00 0.00 +0.219 A ATOM 4 N LIG 1 0.476 0.875 2.030 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -0.496 1.544 1.393 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -1.553 0.877 0.815 0.00 0.00 +0.087 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -4.143 -3.147 -1.414 0.00 0.00 -0.300 NA ATOM 8 C LIG 1 -3.399 -1.983 -1.941 0.00 0.00 +0.103 C ATOM 9 C LIG 1 -3.207 -0.800 -0.961 0.00 0.00 +0.122 C ATOM 10 N LIG 1 -2.610 -1.235 0.312 0.00 0.00 -0.313 N ATOM 11 C LIG 1 -2.607 -2.686 0.562 0.00 0.00 +0.122 C ATOM 12 C LIG 1 -3.925 -3.306 0.044 0.00 0.00 +0.103 C BRANCH 7 14 ATOM 13 C LIG 1 -6.319 -4.365 -1.405 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -5.570 -3.083 -1.755 0.00 0.00 +0.081 C ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 N LIG 1 1.380 -1.201 2.700 0.00 0.00 -0.309 N ATOM 16 H LIG 1 1.287 -2.147 2.346 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 2.713 -0.621 2.681 0.00 0.00 +0.092 C ATOM 18 C LIG 1 3.293 -0.423 1.270 0.00 0.00 +0.130 C ATOM 19 N LIG 1 4.730 -0.634 1.417 0.00 0.00 -0.296 N ATOM 20 C LIG 1 5.707 -0.481 0.459 0.00 0.00 +0.250 C ATOM 21 O LIG 1 6.885 -0.781 0.628 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 5.051 -1.120 2.746 0.00 0.00 +0.110 C ATOM 23 C LIG 1 3.721 -1.584 3.317 0.00 0.00 +0.043 C BRANCH 20 24 ATOM 24 C LIG 1 5.315 0.017 -0.867 0.00 0.00 +0.075 A ATOM 25 C LIG 1 4.916 1.344 -1.039 0.00 0.00 +0.138 A ATOM 26 F LIG 1 4.854 2.182 0.005 0.00 0.00 -0.205 F ATOM 27 C LIG 1 4.572 1.820 -2.300 0.00 0.00 +0.080 A ATOM 28 C LIG 1 4.647 0.959 -3.388 0.00 0.00 +0.161 A ATOM 29 F LIG 1 4.314 1.410 -4.605 0.00 0.00 -0.202 F ATOM 30 C LIG 1 5.067 -0.360 -3.223 0.00 0.00 +0.159 A ATOM 31 F LIG 1 5.141 -1.178 -4.281 0.00 0.00 -0.202 F ATOM 32 C LIG 1 5.411 -0.842 -1.965 0.00 0.00 +0.057 A ENDBRANCH 20 24 ENDBRANCH 15 17 ENDBRANCH 3 15 BRANCH 5 33 ATOM 33 N LIG 1 -0.346 2.929 1.387 0.00 0.00 -0.283 N ATOM 34 H LIG 1 0.416 3.176 2.009 0.00 0.00 +0.155 HD BRANCH 33 35 ATOM 35 C LIG 1 -0.890 3.958 0.713 0.00 0.00 +0.146 A ATOM 36 N LIG 1 -0.649 5.225 1.062 0.00 0.00 -0.158 NA ATOM 37 N LIG 1 -1.334 5.960 0.176 0.00 0.00 -0.280 N ATOM 38 H LIG 1 -1.306 6.970 0.269 0.00 0.00 +0.189 HD ATOM 39 C LIG 1 -1.977 5.215 -0.770 0.00 0.00 +0.035 A ATOM 40 C LIG 1 -2.763 5.826 -1.862 0.00 0.00 +0.065 C ATOM 41 C LIG 1 -1.695 3.905 -0.449 0.00 0.00 +0.068 A ENDBRANCH 33 35 ENDBRANCH 5 33 TORSDOF 7