REMARK Name = BDB024526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.123 0.756 0.379 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -1.012 0.018 0.103 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -2.067 0.865 0.422 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -3.402 0.433 0.271 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -4.561 1.334 0.577 0.00 0.00 +0.041 C ATOM 6 C LIG 1 -5.605 0.502 1.285 0.00 0.00 +0.027 C ATOM 7 C LIG 1 -6.074 -0.658 0.393 0.00 0.00 +0.082 C ATOM 8 C LIG 1 -6.781 -1.677 1.305 0.00 0.00 +0.028 C ATOM 9 N LIG 1 -5.006 -1.304 -0.411 0.00 0.00 -0.234 N ATOM 10 C LIG 1 -5.347 -2.193 -1.446 0.00 0.00 +0.407 C ATOM 11 O LIG 1 -4.568 -2.758 -2.206 0.00 0.00 -0.226 OA ATOM 12 C LIG 1 -3.647 -0.866 -0.229 0.00 0.00 +0.045 A ATOM 13 C LIG 1 -2.557 -1.690 -0.543 0.00 0.00 +0.026 A ATOM 14 N LIG 1 -1.601 2.077 0.860 0.00 0.00 -0.232 NA ATOM 15 C LIG 1 -1.228 -1.272 -0.386 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -0.284 2.006 0.814 0.00 0.00 +0.115 A ENDROOT BRANCH 1 22 ATOM 17 C LIG 1 4.051 -0.818 -0.188 0.00 0.00 +0.104 C ATOM 18 C LIG 1 3.381 -1.187 1.178 0.00 0.00 -0.020 C ATOM 19 C LIG 1 4.032 -0.353 2.303 0.00 0.00 +0.012 C ATOM 20 C LIG 1 3.552 -2.678 1.541 0.00 0.00 +0.012 C ATOM 21 C LIG 1 1.850 -0.888 1.146 0.00 0.00 +0.032 C ATOM 22 C LIG 1 1.506 0.306 0.240 0.00 0.00 +0.090 C ATOM 23 C LIG 1 1.908 0.051 -1.224 0.00 0.00 +0.026 C ATOM 24 C LIG 1 3.062 -0.946 -1.356 0.00 0.00 +0.017 C BRANCH 17 25 ATOM 25 C LIG 1 5.310 -1.619 -0.489 0.00 0.00 +0.310 C ATOM 26 O LIG 1 5.345 -2.642 -1.160 0.00 0.00 -0.251 OA BRANCH 25 28 ATOM 27 C LIG 1 7.617 -1.735 -0.110 0.00 0.00 +0.280 C ATOM 28 O LIG 1 6.389 -1.039 0.107 0.00 0.00 -0.468 OA ENDBRANCH 25 28 ENDBRANCH 17 25 ENDBRANCH 1 22 BRANCH 10 29 ATOM 29 O LIG 1 -6.700 -2.352 -1.569 0.00 0.00 -0.453 OA ATOM 30 C LIG 1 -7.104 -3.224 -2.626 0.00 0.00 +0.282 C ENDBRANCH 10 29 BRANCH 16 31 ATOM 31 C LIG 1 0.630 3.137 1.188 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 1.409 3.719 0.026 0.00 0.00 -0.040 A ATOM 33 C LIG 1 2.789 3.946 0.143 0.00 0.00 +0.004 A ATOM 34 C LIG 1 3.512 4.484 -0.923 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.863 4.812 -2.112 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.490 4.611 -2.233 0.00 0.00 +0.000 A ATOM 37 C LIG 1 0.765 4.074 -1.169 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 16 31 TORSDOF 6