REMARK Name = BDB057473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.496 -0.107 0.888 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.978 -0.102 0.817 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -4.324 0.870 0.842 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.885 -0.385 -0.700 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.640 -0.825 -0.192 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.174 -2.073 -0.633 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -4.866 -2.813 -1.599 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -6.056 -2.331 -2.133 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.569 -1.118 -1.685 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -5.721 1.884 -0.138 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -6.460 0.907 -0.244 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -7.902 1.035 0.092 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -8.520 2.279 -0.084 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -9.871 2.439 0.227 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -10.604 1.362 0.725 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -9.987 0.126 0.920 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.636 -0.039 0.610 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.075 0.577 2.195 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -2.302 1.733 2.521 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -1.397 -0.239 3.032 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -1.220 0.327 3.812 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -1.883 0.665 -0.295 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 -0.381 0.518 -0.380 0.00 0.00 -0.045 A ATOM 24 C LIG 1 0.190 -0.632 -0.938 0.00 0.00 +0.007 A ATOM 25 C LIG 1 1.580 -0.781 -0.999 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.415 0.218 -0.502 0.00 0.00 +0.121 A ATOM 27 C LIG 1 1.847 1.366 0.055 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.461 1.519 0.117 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 3.782 0.199 -0.497 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 4.422 -0.943 -1.063 0.00 0.00 +0.233 C BRANCH 30 31 ATOM 31 C LIG 1 5.947 -0.786 -0.975 0.00 0.00 +0.031 C ATOM 32 C LIG 1 6.417 -0.711 0.487 0.00 0.00 +0.042 C ATOM 33 C LIG 1 7.888 -0.398 0.619 0.00 0.00 -0.044 A ATOM 34 C LIG 1 8.607 0.206 -0.428 0.00 0.00 -0.044 A ATOM 35 C LIG 1 9.967 0.500 -0.250 0.00 0.00 +0.004 A ATOM 36 C LIG 1 10.602 0.223 0.960 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.885 -0.354 2.004 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.965 0.492 -1.763 0.00 0.00 +0.036 C ATOM 39 C LIG 1 8.535 -0.660 1.836 0.00 0.00 +0.004 A ATOM 40 C LIG 1 6.437 0.461 -1.722 0.00 0.00 +0.012 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11