REMARK Name = BDB018364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.038 -0.810 -0.274 0.00 0.00 +0.135 A ATOM 2 C LIG 1 -1.234 -2.036 -0.147 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.894 -3.207 -0.042 0.00 0.00 +0.101 A ATOM 4 N LIG 1 -3.275 -3.292 -0.033 0.00 0.00 -0.317 N ATOM 5 C LIG 1 -3.889 -4.603 0.104 0.00 0.00 +0.152 C ATOM 6 C LIG 1 -4.085 -2.168 -0.121 0.00 0.00 +0.255 A ATOM 7 O LIG 1 -5.312 -2.177 -0.099 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -3.380 -0.870 -0.258 0.00 0.00 +0.116 A ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.200 -2.007 -0.140 0.00 0.00 +0.024 A ATOM 10 C LIG 1 1.001 -1.181 0.616 0.00 0.00 +0.117 A ATOM 11 N LIG 1 2.289 -1.460 0.252 0.00 0.00 -0.267 N ATOM 12 N LIG 1 2.383 -2.483 -0.627 0.00 0.00 -0.179 NA ATOM 13 C LIG 1 1.108 -2.796 -0.878 0.00 0.00 +0.143 A BRANCH 11 14 ATOM 14 C LIG 1 3.493 -0.793 0.733 0.00 0.00 +0.178 C BRANCH 14 15 ATOM 15 C LIG 1 3.518 0.666 0.345 0.00 0.00 -0.026 A ATOM 16 C LIG 1 3.610 1.042 -1.005 0.00 0.00 +0.005 A ATOM 17 C LIG 1 3.619 2.390 -1.366 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.542 3.376 -0.385 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.455 3.016 0.958 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.444 1.669 1.323 0.00 0.00 +0.005 A ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 9 BRANCH 1 21 ATOM 21 O LIG 1 -1.292 0.340 -0.425 0.00 0.00 -0.491 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.962 1.591 -0.560 0.00 0.00 +0.229 C BRANCH 22 24 ATOM 23 C LIG 1 -1.499 4.056 -0.834 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -0.893 2.672 -0.686 0.00 0.00 +0.038 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6