REMARK Name = BDB057508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.371 -3.435 0.394 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.383 -2.367 0.221 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.310 -2.771 0.020 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -3.740 -0.460 0.889 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.560 -1.236 1.024 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -1.573 -0.728 1.876 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -1.764 0.449 2.612 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.952 1.161 2.505 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.945 0.708 1.644 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -5.139 -2.088 -0.074 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -4.815 -0.901 -0.042 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -5.491 0.065 -0.946 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.819 -0.182 -1.315 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.484 0.700 -2.169 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.821 1.822 -2.666 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.492 2.062 -2.316 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.823 1.183 -1.462 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.095 -3.882 1.835 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -1.803 -3.723 2.818 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 0.023 -4.631 1.968 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 0.007 -4.875 2.919 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.138 -3.233 -0.511 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.782 -2.073 -0.212 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.893 -2.233 0.625 0.00 0.00 +0.007 A ATOM 25 C LIG 1 2.740 -1.154 0.905 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.490 0.099 0.349 0.00 0.00 +0.121 A ATOM 27 C LIG 1 1.389 0.259 -0.494 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.543 -0.816 -0.776 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 3.229 1.233 0.531 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 4.376 1.190 1.387 0.00 0.00 +0.235 C BRANCH 30 31 ATOM 31 C LIG 1 5.614 0.668 0.658 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 6.167 1.688 -0.304 0.00 0.00 +0.044 A ATOM 33 N LIG 1 7.179 2.469 0.147 0.00 0.00 -0.260 NA ATOM 34 C LIG 1 7.675 3.393 -0.704 0.00 0.00 +0.111 A ATOM 35 C LIG 1 7.209 3.585 -1.993 0.00 0.00 +0.020 A ATOM 36 C LIG 1 6.168 2.780 -2.439 0.00 0.00 +0.003 A ATOM 37 C LIG 1 5.636 1.818 -1.586 0.00 0.00 +0.023 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 12