REMARK Name = BDB057492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.320 0.019 -1.053 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.207 -0.667 -2.420 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.525 -1.816 -2.691 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.711 0.140 -3.384 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.723 -0.422 -4.185 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.756 0.088 -0.685 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.149 -0.865 -0.638 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.162 0.833 0.438 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.303 0.454 1.183 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.737 1.210 2.286 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.080 2.389 2.624 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.996 2.813 1.864 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.551 2.049 0.779 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.028 -0.799 0.848 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.380 -1.814 0.601 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.513 -0.843 0.798 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -8.272 0.279 0.441 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -9.665 0.192 0.399 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -10.301 -1.013 0.701 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -9.547 -2.136 1.038 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.155 -2.055 1.081 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 -1.524 -0.801 -0.019 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.748 -0.573 -0.684 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.019 -1.683 -1.115 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.642 -1.766 -0.898 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.029 -0.732 -0.238 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.702 0.380 0.198 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.082 0.458 -0.023 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.084 -0.632 -0.963 0.00 0.00 -0.491 OA BRANCH 29 30 ATOM 30 C LIG 1 4.911 0.490 -0.634 0.00 0.00 +0.240 C BRANCH 30 31 ATOM 31 C LIG 1 5.425 0.375 0.800 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 S LIG 1 6.445 1.810 1.288 0.00 0.00 -0.102 S BRANCH 32 35 ATOM 33 C LIG 1 9.290 0.009 -0.781 0.00 0.00 +0.215 A ATOM 34 N LIG 1 8.104 0.271 -0.193 0.00 0.00 -0.207 NA ATOM 35 C LIG 1 7.997 1.429 0.491 0.00 0.00 +0.101 A ATOM 36 C LIG 1 9.045 2.337 0.605 0.00 0.00 +0.035 A ATOM 37 C LIG 1 10.257 2.044 -0.013 0.00 0.00 +0.008 A ATOM 38 C LIG 1 10.384 0.856 -0.721 0.00 0.00 +0.067 A BRANCH 33 40 ATOM 39 C LIG 1 8.297 -1.980 -1.516 0.00 0.00 +0.279 C ATOM 40 O LIG 1 9.462 -1.160 -1.496 0.00 0.00 -0.480 OA ENDBRANCH 33 40 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 14