REMARK Name = BDB001356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 1.700 0.354 -0.207 0.00 0.00 +0.186 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 2.967 -0.358 -0.021 0.00 0.00 -0.298 N ATOM 3 H LIG 1 3.693 0.108 0.517 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 3.168 -1.633 -0.485 0.00 0.00 +0.248 C ATOM 5 O LIG 1 2.291 -2.248 -1.087 0.00 0.00 -0.270 OA BRANCH 4 6 ATOM 6 C LIG 1 4.495 -2.274 -0.223 0.00 0.00 +0.079 A ATOM 7 C LIG 1 5.615 -1.610 0.302 0.00 0.00 +0.141 A ATOM 8 C LIG 1 6.809 -2.311 0.538 0.00 0.00 +0.047 A ATOM 9 C LIG 1 6.908 -3.663 0.214 0.00 0.00 +0.004 A ATOM 10 C LIG 1 5.813 -4.325 -0.332 0.00 0.00 +0.001 A ATOM 11 C LIG 1 4.616 -3.637 -0.546 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 5.534 -0.285 0.668 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 6.428 0.594 0.093 0.00 0.00 +0.128 A ATOM 14 C LIG 1 6.841 0.517 -1.241 0.00 0.00 +0.046 A ATOM 15 C LIG 1 7.723 1.475 -1.748 0.00 0.00 +0.004 A ATOM 16 C LIG 1 8.177 2.513 -0.931 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.745 2.601 0.393 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.864 1.646 0.903 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 1.995 1.839 -0.032 0.00 0.00 +0.326 C ATOM 20 O LIG 1 2.702 2.328 0.837 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 1.387 2.622 -0.945 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 1.617 3.537 -0.682 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 0.653 -0.097 0.821 0.00 0.00 +0.071 C BRANCH 23 28 ATOM 24 C LIG 1 -1.022 4.697 3.461 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -1.544 3.711 2.457 0.00 0.00 -0.050 A ATOM 26 C LIG 1 -0.765 2.607 2.081 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -1.262 1.658 1.159 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -0.711 0.479 0.582 0.00 0.00 -0.019 A ATOM 29 C LIG 1 -1.674 -0.039 -0.258 0.00 0.00 +0.098 A ATOM 30 N LIG 1 -2.810 0.758 -0.232 0.00 0.00 -0.287 N ATOM 31 C LIG 1 -4.012 0.536 -0.948 0.00 0.00 +0.232 C ATOM 32 O LIG 1 -4.920 1.357 -0.898 0.00 0.00 -0.272 OA ATOM 33 C LIG 1 -2.549 1.826 0.637 0.00 0.00 +0.057 A ATOM 34 C LIG 1 -3.344 2.923 1.023 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -2.827 3.850 1.934 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -4.054 -0.746 -1.756 0.00 0.00 +0.099 C BRANCH 36 37 ATOM 37 C LIG 1 -5.428 -1.012 -2.381 0.00 0.00 +0.013 C BRANCH 37 38 ATOM 38 C LIG 1 -6.502 -1.419 -1.365 0.00 0.00 -0.011 C ATOM 39 C LIG 1 -6.231 -2.749 -0.657 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -7.601 -3.251 -0.202 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -8.636 -2.401 -0.936 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -7.861 -1.667 -2.019 0.00 0.00 +0.003 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 11