REMARK Name = BDB057568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.194 -0.599 -1.379 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.521 -0.686 -0.720 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.403 -0.673 0.303 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.628 0.395 -0.106 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.627 0.102 -1.069 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.875 0.512 -2.386 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -6.023 1.237 -2.728 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -6.969 1.553 -1.761 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.776 1.132 -0.450 0.00 0.00 +0.013 A BRANCH 4 10 ATOM 10 C LIG 1 -5.449 -0.037 1.312 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -4.326 -0.085 1.812 0.00 0.00 -0.287 OA BRANCH 10 14 ATOM 12 C LIG 1 -7.336 -2.276 0.584 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -7.513 -1.419 1.805 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -6.618 -0.389 2.149 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -6.791 0.344 3.331 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -7.886 0.093 4.155 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.804 -0.894 3.805 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.619 -1.645 2.640 0.00 0.00 +0.004 A ENDBRANCH 10 14 ENDBRANCH 4 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -2.160 -1.347 -2.715 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -2.049 -0.869 -3.835 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -2.279 -2.688 -2.572 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -2.288 -3.027 -3.490 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -1.680 0.848 -1.484 0.00 0.00 +0.068 C BRANCH 23 24 ATOM 24 C LIG 1 -0.169 0.929 -1.520 0.00 0.00 -0.045 A ATOM 25 C LIG 1 0.568 0.932 -0.328 0.00 0.00 +0.007 A ATOM 26 C LIG 1 1.966 0.987 -0.351 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.647 1.038 -1.567 0.00 0.00 +0.121 A ATOM 28 C LIG 1 1.913 1.031 -2.756 0.00 0.00 +0.046 A ATOM 29 C LIG 1 0.517 0.978 -2.737 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 O LIG 1 4.001 1.086 -1.740 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 4.839 1.145 -0.582 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 5.157 -0.262 -0.058 0.00 0.00 +0.150 C BRANCH 32 33 ATOM 33 N LIG 1 5.870 -0.208 1.219 0.00 0.00 -0.285 N ATOM 34 C LIG 1 5.259 -0.879 2.354 0.00 0.00 +0.134 C BRANCH 33 35 ATOM 35 C LIG 1 7.220 -0.098 1.225 0.00 0.00 +0.291 A ATOM 36 O LIG 1 7.826 0.323 0.069 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 9.153 0.349 0.374 0.00 0.00 +0.157 A ATOM 38 C LIG 1 9.288 -0.052 1.691 0.00 0.00 +0.111 A ATOM 39 C LIG 1 10.569 -0.111 2.254 0.00 0.00 +0.031 A ATOM 40 C LIG 1 11.662 0.244 1.447 0.00 0.00 +0.002 A ATOM 41 C LIG 1 11.480 0.645 0.117 0.00 0.00 +0.004 A ATOM 42 C LIG 1 10.205 0.708 -0.459 0.00 0.00 +0.048 A ATOM 43 N LIG 1 8.055 -0.332 2.219 0.00 0.00 -0.195 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 13