REMARK Name = BDB055504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.765 -2.680 2.994 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.600 -3.477 4.008 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.447 -3.471 5.220 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -4.539 -4.243 3.385 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -4.484 -4.018 2.420 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.454 -2.714 1.663 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -2.752 -2.856 0.913 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.306 -1.658 1.264 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.157 -1.018 0.003 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.072 -0.027 -0.393 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.115 0.354 0.450 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.266 -0.262 1.687 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -5.376 -1.264 2.084 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -3.041 -1.414 -0.918 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -2.474 -2.497 -0.774 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -2.578 -0.537 -2.015 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -2.429 -1.085 -3.294 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -1.969 -0.288 -4.341 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -1.646 1.050 -4.109 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -1.772 1.591 -2.827 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -2.239 0.798 -1.778 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 -2.402 -1.294 3.548 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 0.022 1.353 1.111 0.00 0.00 +0.121 A ATOM 24 C LIG 1 0.321 -0.007 1.169 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -0.465 -0.874 1.941 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -1.565 -0.396 2.663 0.00 0.00 -0.045 A ATOM 27 C LIG 1 -1.850 0.975 2.612 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -1.066 1.837 1.841 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 0.691 2.304 0.394 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 1.837 1.906 -0.365 0.00 0.00 +0.235 C BRANCH 30 31 ATOM 31 C LIG 1 3.089 1.906 0.507 0.00 0.00 +0.096 C BRANCH 31 35 ATOM 32 C LIG 1 6.523 0.875 -1.796 0.00 0.00 -0.030 A ATOM 33 C LIG 1 5.594 -0.053 -1.339 0.00 0.00 +0.114 A ATOM 34 N LIG 1 4.500 0.264 -0.607 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 4.313 1.569 -0.297 0.00 0.00 +0.045 A ATOM 36 C LIG 1 5.188 2.569 -0.712 0.00 0.00 +0.024 A ATOM 37 C LIG 1 6.304 2.214 -1.468 0.00 0.00 +0.007 A BRANCH 32 39 ATOM 38 C LIG 1 8.976 0.345 -1.749 0.00 0.00 +0.009 C ATOM 39 C LIG 1 7.720 0.451 -2.601 0.00 0.00 +0.033 C ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13