REMARK Name = BDB004859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.373 0.966 -0.234 0.00 0.00 +0.130 A ATOM 2 C LIG 1 0.018 1.357 -0.167 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -0.236 2.711 0.117 0.00 0.00 +0.088 A ATOM 4 C LIG 1 -1.583 3.122 0.169 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -2.634 2.209 -0.044 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -2.378 0.871 -0.298 0.00 0.00 +0.122 A ATOM 7 N LIG 1 0.788 3.568 0.330 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 2.033 3.085 0.264 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -1.057 0.450 -0.362 0.00 0.00 +0.059 A ATOM 10 N LIG 1 2.373 1.830 -0.016 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.000 4.532 0.445 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -3.175 4.880 0.397 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -1.037 5.445 0.759 0.00 0.00 -0.325 N ATOM 14 H LIG 1 -1.307 6.406 0.913 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 -0.054 5.188 0.753 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 1.679 -0.379 -0.546 0.00 0.00 -0.320 N ATOM 17 H LIG 1 1.299 -0.537 -1.483 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 3.096 -0.802 -0.600 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 3.820 -0.652 0.732 0.00 0.00 -0.023 A ATOM 20 C LIG 1 3.267 -1.254 1.877 0.00 0.00 +0.043 A ATOM 21 C LIG 1 3.908 -1.155 3.107 0.00 0.00 +0.124 A ATOM 22 F LIG 1 3.363 -1.737 4.184 0.00 0.00 -0.205 F ATOM 23 C LIG 1 5.107 -0.468 3.236 0.00 0.00 +0.038 A ATOM 24 C LIG 1 5.671 0.135 2.114 0.00 0.00 +0.003 A ATOM 25 C LIG 1 5.034 0.042 0.872 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 26 ATOM 26 C LIG 1 3.780 -0.244 -1.888 0.00 0.00 +0.107 C BRANCH 26 28 ATOM 27 C LIG 1 3.065 -1.825 -3.605 0.00 0.00 +0.101 C ATOM 28 N LIG 1 2.980 -0.450 -3.123 0.00 0.00 -0.317 NA ATOM 29 H LIG 1 3.355 0.168 -3.846 0.00 0.00 +0.122 HD ENDBRANCH 26 28 ENDBRANCH 18 26 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 30 ATOM 30 O LIG 1 -3.484 0.092 -0.472 0.00 0.00 -0.491 OA BRANCH 30 31 ATOM 31 C LIG 1 -3.288 -1.319 -0.585 0.00 0.00 +0.244 C BRANCH 31 32 ATOM 32 C LIG 1 -4.656 -2.025 -0.676 0.00 0.00 +0.124 C BRANCH 32 33 ATOM 33 N LIG 1 -5.517 -1.899 0.518 0.00 0.00 -0.305 NA ATOM 34 C LIG 1 -6.850 -2.435 0.237 0.00 0.00 +0.104 C ATOM 35 C LIG 1 -4.947 -2.561 1.691 0.00 0.00 +0.104 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 10