REMARK Name = BDB011568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.685 0.223 -0.367 0.00 0.00 +0.190 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.514 -0.678 0.008 0.00 0.00 +0.245 C ATOM 3 N LIG 1 -1.657 -0.156 0.578 0.00 0.00 -0.257 N ATOM 4 C LIG 1 -2.742 -1.089 0.945 0.00 0.00 +0.171 C ATOM 5 C LIG 1 -3.712 -0.323 1.852 0.00 0.00 +0.069 C ATOM 6 C LIG 1 -3.255 1.089 1.651 0.00 0.00 -0.024 A ATOM 7 C LIG 1 -3.882 2.228 2.138 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -3.296 3.464 1.884 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.103 3.538 1.157 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.476 2.379 0.678 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -2.054 1.148 0.931 0.00 0.00 +0.040 A ATOM 12 O LIG 1 -0.448 -1.901 -0.215 0.00 0.00 -0.273 OA BRANCH 4 13 ATOM 13 C LIG 1 -3.484 -1.589 -0.308 0.00 0.00 +0.232 C ATOM 14 O LIG 1 -3.506 -1.013 -1.393 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 -4.215 -2.736 -0.134 0.00 0.00 -0.328 N ATOM 16 H LIG 1 -3.914 -3.422 0.546 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 -4.609 -3.110 -0.990 0.00 0.00 +0.145 HD ENDBRANCH 4 13 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.561 0.918 -1.715 0.00 0.00 -0.018 A ATOM 19 C LIG 1 1.478 1.940 -2.031 0.00 0.00 +0.006 A ATOM 20 C LIG 1 1.414 2.609 -3.254 0.00 0.00 +0.000 A ATOM 21 C LIG 1 0.437 2.266 -4.184 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -0.471 1.251 -3.893 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -0.408 0.577 -2.671 0.00 0.00 +0.006 A ENDBRANCH 1 18 BRANCH 1 25 ATOM 24 C LIG 1 2.571 -0.922 0.737 0.00 0.00 +0.231 C ATOM 25 N LIG 1 1.868 -0.642 -0.414 0.00 0.00 -0.299 N ATOM 26 H LIG 1 1.830 -1.367 -1.120 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 2.377 -0.331 1.798 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 3.613 -2.051 0.581 0.00 0.00 +0.137 C ATOM 29 C LIG 1 2.907 -3.398 0.712 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 5.594 -0.872 1.347 0.00 0.00 +0.101 C ATOM 31 N LIG 1 4.655 -1.953 1.626 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 4.178 -1.741 2.508 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 TORSDOF 6