REMARK Name = BDB020163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.062 -0.850 0.228 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -1.412 -2.047 -0.416 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -2.230 -2.025 -1.544 0.00 0.00 +0.122 A ATOM 4 C LIG 1 -2.702 -0.800 -2.024 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -2.388 0.410 -1.385 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -1.556 0.370 -0.254 0.00 0.00 +0.018 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 0.519 0.198 1.775 0.00 0.00 -0.307 N ATOM 8 H LIG 1 0.536 0.987 1.147 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -0.177 -0.940 1.427 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -0.073 -2.003 2.030 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 1.499 0.194 2.837 0.00 0.00 +0.140 C BRANCH 11 16 ATOM 12 C LIG 1 4.800 -0.525 1.074 0.00 0.00 +0.124 A ATOM 13 C LIG 1 5.430 0.716 1.162 0.00 0.00 +0.091 A ATOM 14 C LIG 1 4.802 1.793 1.798 0.00 0.00 +0.124 A ATOM 15 C LIG 1 3.530 1.626 2.347 0.00 0.00 +0.051 A ATOM 16 C LIG 1 2.884 0.382 2.273 0.00 0.00 -0.023 A ATOM 17 C LIG 1 3.530 -0.684 1.631 0.00 0.00 +0.051 A BRANCH 12 19 ATOM 18 C LIG 1 6.610 -1.540 -0.086 0.00 0.00 +0.277 C ATOM 19 O LIG 1 5.306 -1.645 0.473 0.00 0.00 -0.495 OA ENDBRANCH 12 19 BRANCH 14 20 ATOM 20 O LIG 1 5.534 2.951 1.806 0.00 0.00 -0.495 OA ATOM 21 C LIG 1 4.969 4.068 2.482 0.00 0.00 +0.277 C ENDBRANCH 14 20 ENDBRANCH 11 16 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 22 ATOM 22 O LIG 1 -2.635 -3.112 -2.267 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -2.232 -4.397 -1.792 0.00 0.00 +0.232 C BRANCH 23 24 ATOM 24 C LIG 1 -2.835 -5.431 -2.694 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -2.161 -5.808 -3.989 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -2.191 -6.785 -2.845 0.00 0.00 +0.007 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 3 22 BRANCH 5 27 ATOM 27 C LIG 1 -2.914 1.703 -1.976 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 N LIG 1 -2.932 2.810 -1.040 0.00 0.00 -0.313 N ATOM 29 C LIG 1 -3.849 2.965 0.008 0.00 0.00 +0.204 A ATOM 30 N LIG 1 -4.760 2.163 0.425 0.00 0.00 -0.268 NA ATOM 31 H LIG 1 -4.734 1.301 -0.122 0.00 0.00 +0.190 HD ATOM 32 N LIG 1 -3.560 4.229 0.528 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -4.357 4.854 1.555 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -2.553 4.829 -0.210 0.00 0.00 +0.106 A ATOM 35 C LIG 1 -2.167 3.967 -1.160 0.00 0.00 +0.107 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10