REMARK Name = BDB057536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.176 0.198 0.127 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -0.907 0.925 -1.040 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.356 0.872 -1.639 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.365 0.089 -1.079 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.098 -0.641 0.080 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.161 -0.589 0.682 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.549 0.239 0.758 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 -3.558 -0.705 0.075 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 -4.913 -0.397 0.588 0.00 0.00 -0.331 N ATOM 10 H LIG 1 -4.938 -0.475 1.619 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 -7.237 -1.149 0.827 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -6.049 -1.041 0.061 0.00 0.00 +0.040 A ATOM 13 C LIG 1 -6.110 -1.461 -1.278 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -7.266 -2.039 -1.814 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -8.403 -2.192 -1.029 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.392 -1.746 0.289 0.00 0.00 +0.015 A BRANCH 11 20 ATOM 17 C LIG 1 -8.554 0.489 3.975 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -8.463 -0.126 2.675 0.00 0.00 -0.314 N ATOM 19 H LIG 1 -9.140 0.147 1.976 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -7.268 -0.670 2.242 0.00 0.00 +0.246 C ATOM 21 O LIG 1 -6.263 -0.738 2.944 0.00 0.00 -0.270 OA ENDBRANCH 11 20 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 22 ATOM 22 C LIG 1 -3.171 -2.156 0.376 0.00 0.00 +0.326 C ATOM 23 O LIG 1 -2.975 -2.652 1.476 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 OXT LIG 1 -3.063 -2.918 -0.735 0.00 0.00 -0.479 OA ATOM 25 HXT LIG 1 -2.837 -3.804 -0.382 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 8 22 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 26 ATOM 26 O LIG 1 2.635 -0.057 -1.565 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 3.022 0.794 -2.644 0.00 0.00 +0.235 C BRANCH 27 28 ATOM 28 C LIG 1 4.495 0.553 -2.978 0.00 0.00 +0.100 C BRANCH 28 29 ATOM 29 C LIG 1 5.434 1.043 -1.931 0.00 0.00 +0.086 A ATOM 30 C LIG 1 5.684 2.328 -1.494 0.00 0.00 +0.126 A ATOM 31 C LIG 1 5.165 3.665 -1.827 0.00 0.00 +0.088 C ATOM 32 O LIG 1 6.641 2.262 -0.522 0.00 0.00 -0.440 OA ATOM 33 C LIG 1 6.937 0.927 -0.422 0.00 0.00 +0.228 A ATOM 34 N LIG 1 6.252 0.165 -1.254 0.00 0.00 -0.214 NA BRANCH 33 35 ATOM 35 C LIG 1 7.949 0.545 0.559 0.00 0.00 +0.037 A ATOM 36 C LIG 1 8.291 -0.808 0.710 0.00 0.00 +0.013 A ATOM 37 C LIG 1 9.255 -1.204 1.641 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.891 -0.252 2.433 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.564 1.096 2.297 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.599 1.492 1.366 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 12