REMARK Name = BDB033140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.476 0.676 -0.773 0.00 0.00 -0.311 N ATOM 2 C LIG 1 2.419 1.220 -2.114 0.00 0.00 +0.115 C ATOM 3 C LIG 1 0.985 0.664 -2.226 0.00 0.00 +0.004 C ATOM 4 C LIG 1 -0.016 1.630 -2.854 0.00 0.00 +0.025 C ATOM 5 C LIG 1 -1.446 1.124 -2.624 0.00 0.00 +0.085 C ATOM 6 N LIG 1 -1.538 -0.336 -2.441 0.00 0.00 -0.300 NA ATOM 7 C LIG 1 -0.571 -1.030 -3.298 0.00 0.00 +0.085 C ATOM 8 C LIG 1 0.871 -0.734 -2.857 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.026 0.687 -0.679 0.00 0.00 +0.115 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.659 0.567 1.357 0.00 0.00 +0.186 A ATOM 11 C LIG 1 3.234 1.302 0.254 0.00 0.00 +0.167 A ATOM 12 N LIG 1 3.495 2.626 0.143 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 4.137 3.206 1.168 0.00 0.00 +0.223 A ATOM 14 N LIG 1 4.549 2.602 2.289 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 4.292 1.280 2.356 0.00 0.00 +0.162 A BRANCH 10 16 ATOM 16 O LIG 1 3.422 -0.766 1.564 0.00 0.00 -0.450 OA BRANCH 16 18 ATOM 17 C LIG 1 5.385 -1.845 0.537 0.00 0.00 +0.082 A ATOM 18 C LIG 1 4.000 -1.650 0.677 0.00 0.00 +0.141 A ATOM 19 C LIG 1 3.110 -2.480 -0.018 0.00 0.00 +0.050 A ATOM 20 C LIG 1 3.593 -3.472 -0.872 0.00 0.00 +0.042 A ATOM 21 C LIG 1 4.964 -3.659 -0.995 0.00 0.00 +0.124 A ATOM 22 F LIG 1 5.427 -4.629 -1.795 0.00 0.00 -0.205 F ATOM 23 C LIG 1 5.864 -2.873 -0.285 0.00 0.00 +0.055 A BRANCH 17 25 ATOM 24 N LIG 1 7.307 -0.270 0.811 0.00 0.00 -0.295 N ATOM 25 C LIG 1 6.350 -1.121 1.385 0.00 0.00 +0.250 C ATOM 26 O LIG 1 6.256 -1.314 2.598 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 8.257 0.384 1.739 0.00 0.00 +0.070 C ATOM 28 C LIG 1 9.584 -0.378 1.774 0.00 0.00 +0.028 C ATOM 29 C LIG 1 8.474 1.870 1.452 0.00 0.00 +0.028 C ENDBRANCH 24 27 BRANCH 24 31 ATOM 30 C LIG 1 6.500 0.881 -1.255 0.00 0.00 +0.024 C ATOM 31 C LIG 1 7.504 -0.074 -0.634 0.00 0.00 +0.105 C ENDBRANCH 24 31 ENDBRANCH 17 25 ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 11 BRANCH 6 32 ATOM 32 C LIG 1 -2.908 -0.830 -2.678 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 C LIG 1 -3.969 -0.311 -1.677 0.00 0.00 +0.132 C ATOM 34 O LIG 1 -5.270 -0.760 -2.099 0.00 0.00 -0.373 OA ATOM 35 C LIG 1 -5.799 -1.832 -1.317 0.00 0.00 +0.182 C ATOM 36 C LIG 1 -6.042 -1.374 0.129 0.00 0.00 +0.102 C ATOM 37 C LIG 1 -4.861 -0.548 0.665 0.00 0.00 +0.027 C ATOM 38 C LIG 1 -3.632 -0.688 -0.224 0.00 0.00 +0.035 C BRANCH 36 39 ATOM 39 N LIG 1 -7.265 -0.586 0.219 0.00 0.00 -0.276 N ATOM 40 H LIG 1 -7.431 0.133 -0.473 0.00 0.00 +0.152 HD ATOM 41 C LIG 1 -7.958 -0.450 1.383 0.00 0.00 +0.401 C ATOM 42 O LIG 1 -7.772 -1.118 2.387 0.00 0.00 -0.226 OA BRANCH 41 43 ATOM 43 O LIG 1 -8.854 0.553 1.240 0.00 0.00 -0.445 OA BRANCH 43 44 ATOM 44 C LIG 1 -9.728 0.925 2.337 0.00 0.00 +0.107 C ATOM 45 C LIG 1 -8.933 1.380 3.569 0.00 0.00 +0.055 C ATOM 46 C LIG 1 -10.697 -0.214 2.676 0.00 0.00 +0.055 C ATOM 47 C LIG 1 -10.535 2.120 1.808 0.00 0.00 +0.055 C ENDBRANCH 43 44 ENDBRANCH 41 43 ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 11