REMARK Name = BDB057573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.495 0.485 -3.845 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.970 1.919 -3.677 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.334 2.761 -2.871 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.019 2.241 -4.585 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 0.188 3.173 -4.356 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.656 0.260 -2.960 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -2.459 0.530 -1.984 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.500 -0.849 -3.048 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.371 -1.181 -1.982 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.275 -2.254 -2.085 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.354 -2.990 -3.262 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.540 -2.654 -4.337 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.635 -1.591 -4.232 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -4.320 -0.416 -0.703 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -3.247 -0.025 -0.255 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -5.578 -0.112 0.022 0.00 0.00 +0.030 A ATOM 17 C LIG 1 -5.769 -0.510 1.370 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -7.007 -0.195 1.983 0.00 0.00 -0.017 A ATOM 19 C LIG 1 -7.248 -0.580 3.313 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -6.285 -1.274 4.045 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.067 -1.591 3.459 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.991 0.501 1.260 0.00 0.00 +0.008 A ATOM 23 C LIG 1 -7.775 0.893 -0.060 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -4.812 -1.216 2.138 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -6.570 0.588 -0.682 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 26 ATOM 26 C LIG 1 -0.363 -0.539 -3.630 0.00 0.00 +0.068 C BRANCH 26 30 ATOM 27 C LIG 1 1.802 -0.201 0.107 0.00 0.00 +0.121 A ATOM 28 C LIG 1 2.331 0.339 -1.064 0.00 0.00 +0.046 A ATOM 29 C LIG 1 1.631 0.225 -2.271 0.00 0.00 +0.007 A ATOM 30 C LIG 1 0.394 -0.430 -2.325 0.00 0.00 -0.045 A ATOM 31 C LIG 1 -0.124 -0.980 -1.148 0.00 0.00 +0.007 A ATOM 32 C LIG 1 0.575 -0.863 0.055 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 2.378 -0.159 1.346 0.00 0.00 -0.490 OA BRANCH 33 34 ATOM 34 C LIG 1 3.561 0.633 1.482 0.00 0.00 +0.248 C BRANCH 34 35 ATOM 35 C LIG 1 3.981 0.621 2.958 0.00 0.00 +0.150 C BRANCH 35 37 ATOM 36 C LIG 1 4.865 2.917 3.375 0.00 0.00 +0.134 C ATOM 37 N LIG 1 5.124 1.494 3.229 0.00 0.00 -0.285 N BRANCH 37 38 ATOM 38 C LIG 1 6.361 1.133 2.811 0.00 0.00 +0.291 A ATOM 39 O LIG 1 6.556 -0.184 2.481 0.00 0.00 -0.424 OA ATOM 40 C LIG 1 7.864 -0.246 2.108 0.00 0.00 +0.157 A ATOM 41 C LIG 1 8.395 1.026 2.226 0.00 0.00 +0.111 A ATOM 42 C LIG 1 9.741 1.231 1.898 0.00 0.00 +0.031 A ATOM 43 C LIG 1 10.491 0.128 1.462 0.00 0.00 +0.002 A ATOM 44 C LIG 1 9.913 -1.145 1.356 0.00 0.00 +0.004 A ATOM 45 C LIG 1 8.569 -1.364 1.681 0.00 0.00 +0.048 A ATOM 46 N LIG 1 7.430 1.891 2.670 0.00 0.00 -0.195 NA ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 13