REMARK Name = BDB034719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.315 -1.418 -2.243 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.328 -1.016 -2.917 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -1.481 -1.632 4.164 0.00 0.00 +0.154 C ATOM 4 N LIG 1 -1.934 -1.286 2.849 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -1.182 -1.415 1.675 0.00 0.00 +0.070 A ATOM 6 C LIG 1 -1.955 -0.945 0.613 0.00 0.00 +0.072 A ATOM 7 C LIG 1 -1.479 -0.931 -0.684 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -0.173 -1.397 -0.918 0.00 0.00 +0.034 A ATOM 9 C LIG 1 0.586 -1.891 0.172 0.00 0.00 +0.025 A ATOM 10 N LIG 1 -3.191 -0.533 1.132 0.00 0.00 -0.292 N ATOM 11 C LIG 1 0.091 -1.897 1.483 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -3.185 -0.717 2.534 0.00 0.00 +0.330 A ATOM 13 O LIG 1 -4.080 -0.426 3.312 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 -4.255 0.100 0.390 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -4.123 1.626 0.414 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -5.119 2.352 -0.507 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -4.931 3.869 -0.387 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -6.574 1.990 -0.207 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -4.850 1.972 -1.860 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -4.018 2.397 -2.131 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 1.651 -1.316 -2.708 0.00 0.00 +0.145 A ATOM 22 C LIG 1 1.923 -1.579 -4.049 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 0.702 -1.964 -5.198 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 3.244 -1.508 -4.437 0.00 0.00 +0.136 A ATOM 25 N LIG 1 4.255 -1.201 -3.600 0.00 0.00 -0.233 NA ATOM 26 C LIG 1 3.891 -0.950 -2.330 0.00 0.00 +0.179 A ATOM 27 N LIG 1 2.642 -1.002 -1.847 0.00 0.00 -0.209 NA BRANCH 26 28 ATOM 28 C LIG 1 4.969 -0.619 -1.413 0.00 0.00 +0.092 A ATOM 29 C LIG 1 5.026 -0.159 -0.110 0.00 0.00 +0.010 A ATOM 30 C LIG 1 6.400 -0.038 0.262 0.00 0.00 +0.000 A ATOM 31 C LIG 1 6.876 0.392 1.493 0.00 0.00 +0.010 A ATOM 32 C LIG 1 5.802 0.707 2.356 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.415 0.595 1.993 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.168 -0.409 -0.807 0.00 0.00 +0.091 A ATOM 35 C LIG 1 3.957 0.154 0.730 0.00 0.00 +0.011 A ATOM 36 N LIG 1 6.295 -0.748 -1.815 0.00 0.00 -0.357 N ATOM 37 H LIG 1 6.557 -1.059 -2.742 0.00 0.00 +0.165 HD ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 7