REMARK Name = BDB005426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.885 0.906 -0.159 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.053 -0.219 -0.030 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.201 0.277 0.153 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.579 -0.175 0.444 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.258 1.150 0.556 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.372 2.247 0.385 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.583 3.438 0.544 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.095 1.633 0.113 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.177 2.031 -0.112 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.614 1.300 0.809 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.387 2.398 0.088 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.907 2.976 -0.885 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.694 2.622 0.535 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.463 3.689 -0.083 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.333 1.751 1.400 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.697 0.690 1.909 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.498 -0.411 2.961 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.303 0.472 1.615 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.206 -1.039 -0.635 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.699 -2.316 -0.314 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.295 -3.116 -1.293 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.410 -2.646 -2.599 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.143 -3.635 -3.800 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.938 -1.381 -2.936 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.341 -0.580 -1.959 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.022 0.935 -0.797 0.00 0.00 +0.218 A ATOM 27 N LIG 1 5.580 0.353 0.324 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 4.247 0.367 0.536 0.00 0.00 +0.230 A ATOM 29 C LIG 1 3.329 0.889 -0.354 0.00 0.00 +0.097 A ATOM 30 C LIG 1 3.897 1.477 -1.461 0.00 0.00 +0.131 A ATOM 31 N LIG 1 5.224 1.495 -1.712 0.00 0.00 -0.222 NA BRANCH 26 33 ATOM 32 C LIG 1 8.128 -0.175 -0.649 0.00 0.00 +0.128 C ATOM 33 N LIG 1 7.379 0.982 -1.079 0.00 0.00 -0.316 N ATOM 34 H LIG 1 7.451 1.211 -2.065 0.00 0.00 +0.149 HD ENDBRANCH 26 33 BRANCH 28 35 ATOM 35 O LIG 1 3.760 -0.208 1.699 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 4.777 -0.472 2.662 0.00 0.00 +0.279 C ENDBRANCH 28 35 ENDBRANCH 1 29 BRANCH 2 37 ATOM 37 C LIG 1 1.473 -1.615 -0.110 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.006 -2.446 1.084 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.097 -2.260 -1.443 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6