REMARK Name = BDB046198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.669 1.486 -0.102 0.00 0.00 +0.185 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.536 1.122 0.637 0.00 0.00 -0.268 N ATOM 3 H LIG 1 -0.490 1.133 1.649 0.00 0.00 +0.153 HD ATOM 4 C LIG 1 -1.788 1.415 0.185 0.00 0.00 +0.401 C ATOM 5 O LIG 1 -2.071 1.794 -0.939 0.00 0.00 -0.226 OA BRANCH 4 6 ATOM 6 O LIG 1 -2.670 1.220 1.192 0.00 0.00 -0.449 OA BRANCH 6 7 ATOM 7 C LIG 1 -4.047 1.501 0.867 0.00 0.00 +0.246 C BRANCH 7 8 ATOM 8 C LIG 1 -4.684 0.351 0.075 0.00 0.00 +0.088 C ATOM 9 C LIG 1 -5.070 -0.827 0.969 0.00 0.00 -0.029 A ATOM 10 C LIG 1 -6.458 -1.069 0.885 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -7.038 -2.097 1.610 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -6.217 -2.887 2.421 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.835 -2.646 2.497 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.048 -0.112 -0.027 0.00 0.00 -0.014 A ATOM 15 C LIG 1 -8.360 0.051 -0.439 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -8.650 1.066 -1.356 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.634 1.899 -1.854 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.311 1.736 -1.440 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.249 -1.611 1.766 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -6.032 0.735 -0.521 0.00 0.00 -0.029 A ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 0.863 3.008 -0.025 0.00 0.00 +0.325 C ATOM 22 O LIG 1 0.431 3.738 0.856 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 1.664 3.511 -0.983 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 1.692 4.474 -0.799 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 25 ATOM 25 C LIG 1 0.737 0.931 -1.535 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 0.386 -0.556 -1.695 0.00 0.00 +0.026 C BRANCH 26 27 ATOM 27 C LIG 1 1.194 -1.524 -0.829 0.00 0.00 +0.145 C BRANCH 27 31 ATOM 28 C LIG 1 4.762 -1.234 -0.880 0.00 0.00 +0.113 A ATOM 29 N LIG 1 4.454 -1.629 -2.159 0.00 0.00 -0.130 NA ATOM 30 N LIG 1 3.139 -1.778 -2.247 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 2.621 -1.466 -1.049 0.00 0.00 -0.251 N ATOM 32 C LIG 1 3.595 -1.132 -0.154 0.00 0.00 +0.138 A BRANCH 28 36 ATOM 33 C LIG 1 8.770 -0.484 0.420 0.00 0.00 +0.120 A ATOM 34 C LIG 1 8.494 -0.814 -0.907 0.00 0.00 +0.046 A ATOM 35 C LIG 1 7.182 -1.059 -1.324 0.00 0.00 +0.014 A ATOM 36 C LIG 1 6.116 -0.977 -0.419 0.00 0.00 +0.004 A ATOM 37 C LIG 1 6.401 -0.646 0.913 0.00 0.00 +0.014 A ATOM 38 C LIG 1 7.718 -0.402 1.330 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 10.426 0.065 2.035 0.00 0.00 +0.277 C ATOM 40 O LIG 1 10.092 -0.270 0.694 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 28 36 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 12