REMARK Name = BDB057532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.536 -0.065 0.449 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -0.817 -1.179 0.894 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.471 -1.024 1.411 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.061 0.239 1.492 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.348 1.353 1.050 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.943 1.202 0.531 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.937 -0.224 -0.096 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 -3.998 -0.414 1.004 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 -5.325 -0.717 0.414 0.00 0.00 -0.331 N ATOM 10 H LIG 1 -5.674 0.091 -0.114 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 -6.503 -2.005 -1.329 0.00 0.00 +0.080 A ATOM 12 C LIG 1 -5.558 -1.918 -0.275 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -4.962 -3.118 0.154 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.239 -4.343 -0.461 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -6.147 -4.408 -1.508 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.783 -3.246 -1.935 0.00 0.00 +0.017 A BRANCH 11 17 ATOM 17 C LIG 1 -7.254 -0.842 -1.884 0.00 0.00 +0.341 C ATOM 18 O LIG 1 -8.306 -0.948 -2.496 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 -6.582 0.320 -1.675 0.00 0.00 -0.461 OA BRANCH 19 21 ATOM 20 C LIG 1 -6.380 2.691 -1.874 0.00 0.00 +0.048 C ATOM 21 C LIG 1 -7.225 1.480 -2.219 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 22 ATOM 22 C LIG 1 -4.120 0.897 1.792 0.00 0.00 +0.326 C ATOM 23 O LIG 1 -4.529 1.965 1.358 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 OXT LIG 1 -3.727 0.791 3.078 0.00 0.00 -0.479 OA ATOM 25 HXT LIG 1 -3.880 1.685 3.451 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 2.322 0.247 2.018 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 2.993 1.510 2.090 0.00 0.00 +0.235 C BRANCH 27 28 ATOM 28 C LIG 1 4.391 1.291 2.666 0.00 0.00 +0.100 C BRANCH 28 29 ATOM 29 C LIG 1 5.333 0.717 1.667 0.00 0.00 +0.086 A ATOM 30 C LIG 1 5.494 -0.588 1.254 0.00 0.00 +0.126 A ATOM 31 C LIG 1 4.854 -1.872 1.585 0.00 0.00 +0.088 C ATOM 32 O LIG 1 6.482 -0.611 0.311 0.00 0.00 -0.440 OA ATOM 33 C LIG 1 6.878 0.698 0.199 0.00 0.00 +0.228 A ATOM 34 N LIG 1 6.219 1.526 0.990 0.00 0.00 -0.214 NA BRANCH 33 35 ATOM 35 C LIG 1 7.945 0.986 -0.755 0.00 0.00 +0.037 A ATOM 36 C LIG 1 8.400 2.304 -0.909 0.00 0.00 +0.013 A ATOM 37 C LIG 1 9.420 2.611 -1.814 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.998 1.600 -2.579 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.559 0.285 -2.439 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.539 -0.020 -1.533 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 14