REMARK Name = BDB057479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.325 1.002 0.315 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.174 2.479 0.691 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.864 3.406 -0.042 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.441 2.711 1.997 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.367 3.682 2.094 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.709 0.502 0.499 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.859 0.251 1.489 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.866 1.134 0.025 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -6.133 0.752 0.533 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -7.323 1.327 0.057 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -7.280 2.256 -0.977 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.053 2.605 -1.529 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.866 2.043 -1.040 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.221 -0.243 1.635 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.473 -0.131 2.604 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.191 -1.368 1.578 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.668 -1.900 2.782 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.575 -2.961 2.768 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.998 -3.501 1.554 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.510 -2.987 0.352 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.603 -1.925 0.361 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.778 0.667 -1.084 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.520 0.136 -1.058 0.00 0.00 +0.121 A ATOM 24 C LIG 1 1.968 1.376 -1.379 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.579 1.546 -1.393 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.275 0.479 -1.090 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.283 -0.763 -0.768 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.670 -0.929 -0.754 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.852 -0.164 -1.006 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 4.770 0.888 -1.302 0.00 0.00 +0.232 C BRANCH 30 32 ATOM 31 C LIG 1 6.470 -0.734 -2.223 0.00 0.00 +0.011 C ATOM 32 C LIG 1 6.214 0.366 -1.186 0.00 0.00 +0.028 C BRANCH 32 33 ATOM 33 C LIG 1 6.488 -0.137 0.247 0.00 0.00 +0.041 C BRANCH 33 34 ATOM 34 C LIG 1 7.951 -0.389 0.528 0.00 0.00 -0.047 A ATOM 35 C LIG 1 8.448 -1.697 0.598 0.00 0.00 +0.003 A ATOM 36 C LIG 1 9.801 -1.928 0.852 0.00 0.00 +0.000 A ATOM 37 C LIG 1 10.670 -0.855 1.038 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.187 0.451 0.972 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.834 0.684 0.719 0.00 0.00 +0.003 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13