REMARK Name = BDB057518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.951 0.186 -0.089 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.297 1.520 0.273 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -0.339 2.557 -0.372 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 0.372 1.480 1.447 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 0.709 2.395 1.548 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.425 0.306 -0.107 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -2.726 1.022 -0.790 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.172 0.464 1.072 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.508 0.926 1.005 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.306 1.039 2.157 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -4.803 0.639 3.390 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.511 0.130 3.473 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.711 0.035 2.326 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.079 1.351 -0.298 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.419 2.094 -1.023 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.418 0.881 -0.740 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -6.936 -0.357 -0.335 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.192 -0.769 -0.786 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.928 0.046 -1.647 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.409 1.272 -2.065 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.153 1.687 -1.617 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 -0.484 -0.243 -1.493 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 3.724 -1.198 -1.670 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.253 0.003 -2.206 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.894 0.316 -2.145 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.988 -0.581 -1.564 0.00 0.00 -0.045 A ATOM 27 C LIG 1 1.466 -1.796 -1.048 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.828 -2.104 -1.103 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 5.069 -1.413 -1.790 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 5.668 -2.108 -0.691 0.00 0.00 +0.234 C BRANCH 30 31 ATOM 31 C LIG 1 7.183 -1.889 -0.726 0.00 0.00 +0.085 C BRANCH 31 34 ATOM 32 C LIG 1 7.493 -0.596 2.228 0.00 0.00 +0.066 C ATOM 33 C LIG 1 7.705 0.075 0.920 0.00 0.00 +0.049 A ATOM 34 C LIG 1 7.567 -0.490 -0.339 0.00 0.00 +0.015 A ATOM 35 S LIG 1 7.922 0.684 -1.542 0.00 0.00 -0.080 S ATOM 36 C LIG 1 8.213 1.836 -0.312 0.00 0.00 +0.156 A ATOM 37 N LIG 1 8.072 1.412 0.923 0.00 0.00 -0.252 NA ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12