REMARK Name = BDB057571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.233 0.121 -0.066 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.025 -0.455 -0.588 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.230 -1.470 -0.049 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.857 -1.287 0.128 0.00 0.00 +0.007 A ATOM 5 C LIG 1 0.256 -0.077 -0.235 0.00 0.00 -0.045 A ATOM 6 C LIG 1 1.053 0.938 -0.777 0.00 0.00 +0.007 A ATOM 7 C LIG 1 2.429 0.751 -0.952 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 4.348 -0.776 -0.695 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 5.264 0.200 -1.203 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 5.725 1.189 -0.118 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 6.008 -0.264 1.892 0.00 0.00 +0.134 C ATOM 12 N LIG 1 6.617 0.581 0.875 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 7.904 0.313 0.551 0.00 0.00 +0.291 A ATOM 14 O LIG 1 8.415 0.925 -0.566 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 9.700 0.479 -0.634 0.00 0.00 +0.157 A ATOM 16 C LIG 1 9.906 -0.375 0.434 0.00 0.00 +0.111 A ATOM 17 C LIG 1 11.162 -0.975 0.591 0.00 0.00 +0.031 A ATOM 18 C LIG 1 12.159 -0.675 -0.351 0.00 0.00 +0.002 A ATOM 19 C LIG 1 11.909 0.197 -1.419 0.00 0.00 +0.004 A ATOM 20 C LIG 1 10.658 0.802 -1.588 0.00 0.00 +0.048 A ATOM 21 N LIG 1 8.759 -0.472 1.177 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.058 -0.527 -1.195 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -1.828 0.252 -2.497 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -1.875 1.464 -2.646 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -1.586 -0.548 -3.559 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -1.517 0.077 -4.310 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -3.508 -0.489 -0.882 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -3.808 0.490 -0.748 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.022 -1.292 0.155 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -5.119 -0.855 0.941 0.00 0.00 +0.038 A ATOM 31 C LIG 1 -5.662 -1.686 1.936 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -5.157 -2.969 2.134 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.117 -3.431 1.336 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -3.566 -2.606 0.352 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -5.682 0.518 0.738 0.00 0.00 +0.168 C ATOM 36 O LIG 1 -4.905 1.423 0.428 0.00 0.00 -0.292 OA BRANCH 35 37 ATOM 37 C LIG 1 -7.187 0.754 0.923 0.00 0.00 +0.060 C ATOM 38 C LIG 1 -8.026 -0.121 -0.030 0.00 0.00 +0.011 C ATOM 39 C LIG 1 -8.549 0.658 -1.233 0.00 0.00 +0.001 C ATOM 40 C LIG 1 -9.434 1.831 -0.813 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -9.011 2.465 0.512 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -7.528 2.253 0.788 0.00 0.00 +0.011 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13