REMARK Name = BDB058614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.250 -0.311 0.302 0.00 0.00 +0.096 C ENDROOT BRANCH 1 7 ATOM 2 C LIG 1 6.609 2.467 2.854 0.00 0.00 +0.044 C ATOM 3 C LIG 1 5.653 1.726 1.965 0.00 0.00 -0.048 A ATOM 4 C LIG 1 4.302 1.610 2.328 0.00 0.00 +0.033 A ATOM 5 C LIG 1 3.410 0.940 1.475 0.00 0.00 +0.090 A ATOM 6 N LIG 1 2.081 0.689 1.658 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 1.681 0.040 0.581 0.00 0.00 +0.117 A ATOM 8 N LIG 1 2.737 -0.169 -0.307 0.00 0.00 -0.296 N ATOM 9 C LIG 1 3.860 0.426 0.263 0.00 0.00 +0.074 A ATOM 10 C LIG 1 5.212 0.514 -0.111 0.00 0.00 +0.028 A ATOM 11 C LIG 1 6.089 1.185 0.752 0.00 0.00 +0.005 A BRANCH 8 12 ATOM 12 C LIG 1 2.691 -0.845 -1.557 0.00 0.00 +0.051 A ATOM 13 C LIG 1 1.964 -2.028 -1.698 0.00 0.00 +0.046 A ATOM 14 C LIG 1 1.958 -2.645 -2.938 0.00 0.00 +0.113 A ATOM 15 N LIG 1 2.607 -2.166 -4.020 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 3.299 -1.019 -3.857 0.00 0.00 +0.113 A ATOM 17 C LIG 1 3.377 -0.329 -2.658 0.00 0.00 +0.046 A ENDBRANCH 8 12 ENDBRANCH 1 7 BRANCH 1 18 ATOM 18 C LIG 1 -0.722 0.540 1.128 0.00 0.00 +0.136 C BRANCH 18 19 ATOM 19 N LIG 1 -2.118 0.273 0.771 0.00 0.00 -0.274 N ATOM 20 C LIG 1 -2.664 1.008 -0.280 0.00 0.00 +0.262 A ATOM 21 O LIG 1 -2.030 1.823 -0.945 0.00 0.00 -0.267 OA ATOM 22 C LIG 1 -4.083 0.750 -0.612 0.00 0.00 +0.048 A ATOM 23 C LIG 1 -4.780 -0.259 0.062 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -6.137 -0.496 -0.263 0.00 0.00 -0.016 A ATOM 25 C LIG 1 -6.756 0.285 -1.252 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -6.048 1.286 -1.918 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.839 -1.511 0.408 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -6.213 -2.287 1.384 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.877 -2.056 1.702 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -4.166 -1.044 1.044 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -4.712 1.518 -1.600 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -2.746 -0.807 1.390 0.00 0.00 +0.262 A ATOM 33 O LIG 1 -2.182 -1.570 2.169 0.00 0.00 -0.267 OA ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 4