REMARK Name = BDB004773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.308 -0.558 -0.449 0.00 0.00 -0.320 N ATOM 2 H LIG 1 -0.206 -1.563 -0.613 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.921 -0.052 0.021 0.00 0.00 +0.130 A ATOM 4 C LIG 1 2.085 -0.243 -0.754 0.00 0.00 +0.041 A ATOM 5 C LIG 1 3.285 0.279 -0.233 0.00 0.00 +0.088 A ATOM 6 C LIG 1 4.461 0.085 -0.989 0.00 0.00 +0.063 A ATOM 7 C LIG 1 4.438 -0.594 -2.223 0.00 0.00 +0.015 A ATOM 8 C LIG 1 3.249 -1.091 -2.732 0.00 0.00 +0.002 A ATOM 9 N LIG 1 3.286 0.939 0.947 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 2.120 1.084 1.586 0.00 0.00 +0.223 A ATOM 11 C LIG 1 2.081 -0.914 -2.003 0.00 0.00 +0.013 A ATOM 12 N LIG 1 0.940 0.619 1.183 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 5.806 0.578 -0.553 0.00 0.00 +0.244 C ATOM 14 O LIG 1 6.810 0.395 -1.235 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 5.904 1.244 0.631 0.00 0.00 -0.325 N ATOM 16 H LIG 1 6.804 1.596 0.925 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 5.080 1.422 1.199 0.00 0.00 +0.145 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.484 -0.366 0.417 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -2.095 1.012 0.201 0.00 0.00 -0.024 A ATOM 20 C LIG 1 -2.398 1.824 1.306 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -2.957 3.095 1.111 0.00 0.00 +0.127 A ATOM 22 C LIG 1 -3.227 3.569 -0.179 0.00 0.00 +0.033 A ATOM 23 C LIG 1 -2.927 2.766 -1.278 0.00 0.00 +0.003 A ATOM 24 C LIG 1 -2.365 1.501 -1.089 0.00 0.00 +0.005 A BRANCH 21 25 ATOM 25 N LIG 1 -3.263 3.939 2.273 0.00 0.00 +0.056 N ATOM 26 O LIG 1 -3.700 5.079 2.061 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 -3.072 3.460 3.401 0.00 0.00 -0.126 OA ENDBRANCH 21 25 ENDBRANCH 18 19 BRANCH 18 28 ATOM 28 C LIG 1 -2.520 -1.493 0.089 0.00 0.00 +0.110 C BRANCH 28 30 ATOM 29 C LIG 1 -1.529 -3.299 1.401 0.00 0.00 +0.104 C ATOM 30 N LIG 1 -1.929 -2.860 0.060 0.00 0.00 -0.306 NA ATOM 31 C LIG 1 -2.903 -3.807 -0.494 0.00 0.00 +0.104 C ENDBRANCH 28 30 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 7