REMARK Name = BDB029324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.500 -1.495 -0.607 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.651 -2.122 -1.101 0.00 0.00 +0.252 C ATOM 3 O LIG 1 0.792 -3.054 -1.871 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.802 -1.441 -0.501 0.00 0.00 +0.045 A ATOM 5 C LIG 1 3.142 -1.686 -0.689 0.00 0.00 +0.038 A ATOM 6 C LIG 1 4.001 -0.866 0.022 0.00 0.00 +0.056 A ATOM 7 N LIG 1 3.559 0.124 0.865 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 2.226 0.341 1.029 0.00 0.00 +0.050 A ATOM 9 C LIG 1 1.332 -0.444 0.336 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -0.153 -0.416 0.311 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.279 -1.385 -0.635 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.918 -1.091 -0.375 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.847 -1.834 -0.913 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.162 -2.904 -1.752 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.488 -3.220 -2.043 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.526 -2.470 -1.495 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.509 -0.498 -0.012 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.308 0.020 1.467 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.945 -1.306 1.955 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.696 -1.350 0.603 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -6.761 -1.204 3.143 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -7.388 -1.116 4.115 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.871 0.565 -1.072 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -5.586 3.570 -0.267 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -6.811 2.822 -0.363 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.968 1.505 -0.709 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -8.255 1.226 -0.704 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -8.940 2.353 -0.324 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -8.060 3.305 -0.126 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.777 1.446 1.951 0.00 0.00 +0.038 C ATOM 31 C LIG 1 1.079 1.116 3.252 0.00 0.00 +0.010 C ATOM 32 C LIG 1 2.478 1.655 3.274 0.00 0.00 +0.010 C ENDBRANCH 8 30 BRANCH 6 33 ATOM 33 C LIG 1 5.505 -1.023 -0.106 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 N LIG 1 6.116 0.211 -0.623 0.00 0.00 -0.308 NA ATOM 35 H LIG 1 5.732 0.977 -0.061 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.570 0.197 -0.514 0.00 0.00 +0.060 C ATOM 37 C LIG 1 8.176 1.533 -0.936 0.00 0.00 +0.094 C ATOM 38 C LIG 1 9.630 1.153 -1.098 0.00 0.00 +0.250 C ATOM 39 F LIG 1 10.212 1.044 0.122 0.00 0.00 -0.206 F ATOM 40 F LIG 1 10.322 2.070 -1.796 0.00 0.00 -0.206 F ATOM 41 C LIG 1 9.624 -0.202 -1.782 0.00 0.00 +0.077 C ATOM 42 C LIG 1 8.259 -0.811 -1.445 0.00 0.00 +0.024 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9