REMARK Name = BDB001352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.213 -1.466 0.074 0.00 0.00 +0.186 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.662 -1.267 -0.073 0.00 0.00 -0.298 N ATOM 3 H LIG 1 -2.974 -0.849 -0.942 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.603 -1.948 0.667 0.00 0.00 +0.248 C ATOM 5 O LIG 1 -3.303 -2.644 1.632 0.00 0.00 -0.270 OA BRANCH 4 6 ATOM 6 C LIG 1 -5.040 -1.819 0.262 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -5.522 -0.942 -0.723 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -6.889 -0.911 -1.041 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -7.789 -1.723 -0.354 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -7.329 -2.580 0.640 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -5.965 -2.629 0.944 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 -4.658 -0.150 -1.449 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 -4.841 1.214 -1.365 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -5.122 1.877 -0.168 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.252 3.267 -0.161 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.087 3.991 -1.341 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.785 3.329 -2.531 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -4.655 1.940 -2.542 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 -0.793 -2.735 -0.673 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -1.487 -3.699 -0.956 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 0.497 -2.713 -1.073 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 0.611 -3.572 -1.531 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -0.716 -1.470 1.529 0.00 0.00 +0.071 C BRANCH 23 27 ATOM 24 C LIG 1 3.172 -3.920 2.382 0.00 0.00 +0.052 A ATOM 25 C LIG 1 1.934 -3.325 2.128 0.00 0.00 +0.029 A ATOM 26 C LIG 1 1.839 -1.927 1.931 0.00 0.00 +0.005 A ATOM 27 C LIG 1 0.728 -1.077 1.671 0.00 0.00 -0.019 A ATOM 28 C LIG 1 1.231 0.198 1.593 0.00 0.00 +0.098 A ATOM 29 N LIG 1 2.613 0.199 1.750 0.00 0.00 -0.287 N ATOM 30 C LIG 1 3.350 1.408 1.660 0.00 0.00 +0.232 C ATOM 31 O LIG 1 2.734 2.462 1.507 0.00 0.00 -0.272 OA ATOM 32 C LIG 1 3.002 -1.133 1.987 0.00 0.00 +0.057 A ATOM 33 C LIG 1 4.246 -1.745 2.254 0.00 0.00 +0.028 A ATOM 34 C LIG 1 4.313 -3.131 2.445 0.00 0.00 +0.021 A BRANCH 24 36 ATOM 35 N LIG 1 3.351 -6.483 2.729 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 3.263 -5.337 2.576 0.00 0.00 +0.099 C ENDBRANCH 24 36 BRANCH 30 37 ATOM 37 C LIG 1 4.847 1.370 1.728 0.00 0.00 +0.099 C BRANCH 37 38 ATOM 38 C LIG 1 5.536 0.907 0.442 0.00 0.00 +0.013 C BRANCH 38 39 ATOM 39 C LIG 1 5.395 1.786 -0.811 0.00 0.00 -0.011 C ATOM 40 C LIG 1 5.557 3.293 -0.618 0.00 0.00 +0.003 C ATOM 41 C LIG 1 4.971 3.859 -1.902 0.00 0.00 +0.000 C ATOM 42 C LIG 1 3.724 3.014 -2.115 0.00 0.00 +0.000 C ATOM 43 C LIG 1 4.077 1.624 -1.585 0.00 0.00 +0.003 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 12