REMARK Name = BDB057495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.895 0.667 -0.496 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.326 1.145 0.342 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.542 0.276 1.104 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.182 0.114 0.833 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.417 0.824 -0.214 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.370 1.696 -0.975 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.733 1.856 -0.699 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.639 1.192 0.716 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 4.535 2.059 0.012 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 5.073 1.411 -1.264 0.00 0.00 +0.100 C BRANCH 10 13 ATOM 11 C LIG 1 4.585 -1.849 -0.552 0.00 0.00 +0.088 C ATOM 12 C LIG 1 5.792 -1.018 -0.698 0.00 0.00 +0.126 A ATOM 13 C LIG 1 6.033 0.310 -0.982 0.00 0.00 +0.086 A ATOM 14 N LIG 1 7.391 0.541 -0.980 0.00 0.00 -0.214 NA ATOM 15 C LIG 1 7.920 -0.635 -0.694 0.00 0.00 +0.228 A ATOM 16 O LIG 1 6.998 -1.632 -0.510 0.00 0.00 -0.440 OA BRANCH 15 17 ATOM 17 C LIG 1 9.325 -1.002 -0.554 0.00 0.00 +0.040 A ATOM 18 C LIG 1 9.723 -2.304 -0.239 0.00 0.00 +0.033 A ATOM 19 C LIG 1 11.076 -2.574 -0.123 0.00 0.00 +0.111 A ATOM 20 N LIG 1 12.044 -1.649 -0.296 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 11.641 -0.398 -0.599 0.00 0.00 +0.111 A ATOM 22 C LIG 1 10.313 -0.031 -0.736 0.00 0.00 +0.033 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -2.771 1.566 0.395 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -2.790 3.029 -0.057 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -2.425 3.480 -1.133 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -3.284 3.866 0.885 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -3.282 4.744 0.454 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.138 1.017 0.584 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.124 0.294 1.318 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.978 0.604 -0.458 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -6.003 -0.344 -0.210 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -6.886 -0.752 -1.225 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -6.803 -0.181 -2.490 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.844 0.794 -2.739 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.952 1.186 -1.732 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -6.122 -0.976 1.132 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -5.101 -1.339 1.715 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -7.444 -1.166 1.781 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -7.613 -2.251 2.650 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -8.839 -2.457 3.283 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -9.895 -1.573 3.061 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -9.725 -0.479 2.212 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -8.500 -0.270 1.575 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13