REMARK Name = BDB045531 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.308 -2.886 -0.867 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.265 -4.078 -0.817 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.702 -4.628 0.182 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -3.614 -4.531 -2.041 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -4.250 -5.251 -1.843 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.880 -1.723 -0.155 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.032 -1.933 0.844 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.992 -1.025 -0.650 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.712 -0.151 0.199 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.803 0.597 -0.274 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.160 0.531 -1.617 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.426 -0.273 -2.483 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.349 -1.031 -2.006 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -4.339 -0.039 1.633 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.131 -1.062 2.282 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -4.202 1.288 2.287 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -3.792 2.421 1.573 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -3.667 3.649 2.227 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.941 3.746 3.592 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.331 2.615 4.309 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.457 1.386 3.660 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 -0.993 -3.326 -0.194 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.346 -0.763 -1.204 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.153 -1.964 -1.885 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.075 -2.795 -1.555 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.179 -2.434 -0.540 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.374 -1.223 0.133 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.449 -0.396 -0.200 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.348 0.137 -1.429 0.00 0.00 -0.490 OA BRANCH 29 30 ATOM 30 C LIG 1 4.415 -0.267 -2.285 0.00 0.00 +0.248 C BRANCH 30 31 ATOM 31 C LIG 1 5.531 0.793 -2.307 0.00 0.00 +0.147 C BRANCH 31 33 ATOM 32 C LIG 1 7.099 -0.287 -0.685 0.00 0.00 +0.131 C ATOM 33 N LIG 1 6.293 0.867 -1.046 0.00 0.00 -0.315 N BRANCH 33 34 ATOM 34 C LIG 1 5.791 1.714 -0.060 0.00 0.00 +0.121 A ATOM 35 N LIG 1 4.919 2.681 -0.428 0.00 0.00 -0.240 NA ATOM 36 C LIG 1 4.422 3.519 0.509 0.00 0.00 +0.113 A ATOM 37 C LIG 1 4.763 3.470 1.844 0.00 0.00 +0.020 A ATOM 38 C LIG 1 5.671 2.502 2.233 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.189 1.625 1.276 0.00 0.00 +0.043 A ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13