REMARK Name = BDB011571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.456 -0.660 0.974 0.00 0.00 +0.245 C ATOM 2 N LIG 1 -0.597 -1.555 0.809 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -0.985 -2.253 -0.451 0.00 0.00 +0.172 C ATOM 4 C LIG 1 -1.937 -3.395 -0.051 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -2.254 -3.053 1.371 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -3.181 -3.677 2.192 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -3.287 -3.247 3.515 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.466 -2.218 3.995 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.530 -1.601 3.158 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -1.436 -2.025 1.843 0.00 0.00 +0.040 A ATOM 11 O LIG 1 0.728 -0.131 2.059 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -1.724 -1.331 -1.444 0.00 0.00 +0.239 C ATOM 13 N LIG 1 -2.371 -0.270 -0.849 0.00 0.00 -0.281 N ATOM 14 H LIG 1 -2.304 -0.183 0.164 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -1.775 -1.633 -2.635 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 -3.137 0.751 -1.449 0.00 0.00 +0.076 A ATOM 17 C LIG 1 -3.695 1.715 -0.580 0.00 0.00 +0.141 A ATOM 18 C LIG 1 -4.464 2.758 -1.103 0.00 0.00 +0.047 A ATOM 19 C LIG 1 -4.676 2.847 -2.480 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -4.122 1.898 -3.337 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.353 0.852 -2.823 0.00 0.00 +0.027 A BRANCH 17 22 ATOM 22 O LIG 1 -3.418 1.529 0.755 0.00 0.00 -0.493 OA ATOM 23 C LIG 1 -3.919 2.502 1.662 0.00 0.00 +0.277 C ENDBRANCH 17 22 ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 1.343 -0.363 -0.269 0.00 0.00 +0.190 C BRANCH 24 25 ATOM 25 C LIG 1 2.359 -1.465 -0.533 0.00 0.00 -0.018 A ATOM 26 C LIG 1 3.072 -2.080 0.509 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.004 -3.084 0.236 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.246 -3.475 -1.079 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.563 -2.857 -2.125 0.00 0.00 +0.000 A ATOM 30 C LIG 1 2.631 -1.855 -1.855 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 32 ATOM 31 C LIG 1 2.451 1.709 -1.083 0.00 0.00 +0.231 C ATOM 32 N LIG 1 2.034 0.896 -0.056 0.00 0.00 -0.299 N ATOM 33 H LIG 1 2.466 1.062 0.852 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 2.141 1.520 -2.255 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 3.291 2.915 -0.594 0.00 0.00 +0.137 C ATOM 36 C LIG 1 4.092 3.505 -1.753 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 4.730 3.576 1.272 0.00 0.00 +0.101 C ATOM 38 N LIG 1 4.151 2.465 0.530 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 4.897 1.876 0.156 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 24 32 ENDBRANCH 1 24 TORSDOF 8