REMARK Name = BDB004768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.470 0.432 0.619 0.00 0.00 +0.102 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.186 1.135 0.181 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -1.061 0.543 0.463 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.266 1.159 0.090 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.219 2.382 -0.576 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.992 2.988 -0.857 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.200 2.372 -0.480 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.462 0.480 0.411 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.344 -0.400 0.896 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -4.756 0.933 0.225 0.00 0.00 +0.250 C ATOM 11 O LIG 1 -5.099 2.032 -0.191 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.820 -0.024 0.615 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -7.020 0.475 1.108 0.00 0.00 +0.127 A ATOM 14 N LIG 1 -8.059 -0.303 1.503 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 -7.900 -1.637 1.375 0.00 0.00 +0.214 A ATOM 16 C LIG 1 -6.750 -2.229 0.873 0.00 0.00 +0.068 A ATOM 17 C LIG 1 -5.691 -1.408 0.483 0.00 0.00 +0.020 A BRANCH 15 18 ATOM 18 O LIG 1 -8.912 -2.496 1.750 0.00 0.00 -0.480 OA ATOM 19 C LIG 1 -10.064 -1.817 2.241 0.00 0.00 +0.279 C ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 20 C LIG 1 2.440 2.362 2.063 0.00 0.00 +0.006 C ATOM 21 C LIG 1 1.941 0.922 2.005 0.00 0.00 +0.024 C ENDBRANCH 1 21 BRANCH 1 22 ATOM 22 N LIG 1 2.503 0.602 -0.413 0.00 0.00 -0.322 N ATOM 23 H LIG 1 2.083 0.574 -1.340 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.578 -0.314 -0.415 0.00 0.00 +0.130 A ATOM 25 C LIG 1 4.621 -0.145 -1.351 0.00 0.00 +0.041 A ATOM 26 C LIG 1 5.655 -1.101 -1.325 0.00 0.00 +0.088 A ATOM 27 C LIG 1 6.702 -0.953 -2.260 0.00 0.00 +0.063 A ATOM 28 C LIG 1 6.718 0.113 -3.182 0.00 0.00 +0.015 A ATOM 29 C LIG 1 5.702 1.055 -3.188 0.00 0.00 +0.002 A ATOM 30 N LIG 1 5.625 -2.113 -0.429 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 4.598 -2.165 0.425 0.00 0.00 +0.223 A ATOM 32 C LIG 1 4.663 0.928 -2.277 0.00 0.00 +0.013 A ATOM 33 N LIG 1 3.572 -1.317 0.474 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 7.861 -1.896 -2.350 0.00 0.00 +0.244 C ATOM 35 O LIG 1 8.720 -1.778 -3.218 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 7.952 -2.906 -1.439 0.00 0.00 -0.325 N ATOM 37 H LIG 1 7.220 -3.051 -0.749 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 8.710 -3.568 -1.516 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 8