REMARK Name = BDB001357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 1.283 -0.477 1.679 0.00 0.00 +0.186 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.747 -1.129 0.435 0.00 0.00 -0.298 N ATOM 3 H LIG 1 1.048 -0.646 -0.128 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 2.156 -1.708 -0.678 0.00 0.00 +0.248 C ATOM 5 O LIG 1 1.547 -1.538 -1.727 0.00 0.00 -0.270 OA BRANCH 4 6 ATOM 6 C LIG 1 3.329 -2.608 -0.619 0.00 0.00 +0.079 A ATOM 7 C LIG 1 4.539 -2.256 -0.004 0.00 0.00 +0.141 A ATOM 8 C LIG 1 5.634 -3.130 -0.108 0.00 0.00 +0.047 A ATOM 9 C LIG 1 5.506 -4.357 -0.764 0.00 0.00 +0.004 A ATOM 10 C LIG 1 4.296 -4.710 -1.355 0.00 0.00 +0.001 A ATOM 11 C LIG 1 3.215 -3.832 -1.296 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 4.653 -1.008 0.568 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 5.470 -0.833 1.662 0.00 0.00 +0.128 A ATOM 14 C LIG 1 6.177 0.369 1.718 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.989 0.653 2.817 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.083 -0.258 3.868 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.361 -1.450 3.825 0.00 0.00 +0.004 A ATOM 18 C LIG 1 5.549 -1.735 2.726 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 2.157 -0.934 2.836 0.00 0.00 +0.326 C ATOM 20 O LIG 1 2.408 -2.087 3.155 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 2.661 0.098 3.546 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 3.292 -0.322 4.168 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -0.170 -0.827 2.037 0.00 0.00 +0.071 C BRANCH 23 28 ATOM 24 C LIG 1 -2.377 -2.978 -2.774 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -2.484 -1.735 -1.941 0.00 0.00 -0.050 A ATOM 26 C LIG 1 -1.731 -1.614 -0.765 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -1.823 -0.452 0.034 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -1.177 -0.053 1.240 0.00 0.00 -0.019 A ATOM 29 C LIG 1 -1.668 1.195 1.549 0.00 0.00 +0.102 A ATOM 30 N LIG 1 -2.598 1.598 0.598 0.00 0.00 -0.253 N ATOM 31 C LIG 1 -3.270 2.838 0.668 0.00 0.00 +0.420 C ATOM 32 O LIG 1 -3.052 3.622 1.583 0.00 0.00 -0.223 OA ATOM 33 C LIG 1 -2.697 0.575 -0.354 0.00 0.00 +0.060 A ATOM 34 C LIG 1 -3.475 0.448 -1.523 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -3.358 -0.712 -2.298 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 O LIG 1 -4.128 3.003 -0.361 0.00 0.00 -0.443 OA BRANCH 36 37 ATOM 37 C LIG 1 -4.833 4.244 -0.326 0.00 0.00 +0.269 C BRANCH 37 38 ATOM 38 C LIG 1 -5.745 4.280 -1.523 0.00 0.00 -0.010 A ATOM 39 C LIG 1 -7.001 3.657 -1.477 0.00 0.00 +0.007 A ATOM 40 C LIG 1 -7.838 3.669 -2.594 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.426 4.296 -3.768 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -6.176 4.908 -3.829 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -5.336 4.897 -2.714 0.00 0.00 +0.007 A ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 11