REMARK Name = BDB058480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.256 2.127 -0.310 0.00 0.00 -0.298 N ATOM 2 H LIG 1 0.392 2.655 -0.888 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 2.320 -2.199 4.045 0.00 0.00 +0.154 C ATOM 4 N LIG 1 2.652 -1.157 3.119 0.00 0.00 -0.295 N ATOM 5 C LIG 1 1.735 -0.452 2.332 0.00 0.00 +0.070 A ATOM 6 C LIG 1 2.444 0.473 1.566 0.00 0.00 +0.072 A ATOM 7 C LIG 1 1.802 1.325 0.688 0.00 0.00 +0.051 A ATOM 8 C LIG 1 0.404 1.229 0.559 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -0.295 0.303 1.368 0.00 0.00 +0.025 A ATOM 10 N LIG 1 3.804 0.341 1.883 0.00 0.00 -0.292 N ATOM 11 C LIG 1 0.365 -0.556 2.257 0.00 0.00 +0.030 A ATOM 12 C LIG 1 3.951 -0.678 2.852 0.00 0.00 +0.330 A ATOM 13 O LIG 1 4.994 -1.060 3.361 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 4.898 1.099 1.328 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 5.755 0.320 0.320 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 5.270 0.317 -1.145 0.00 0.00 +0.062 C ATOM 17 C LIG 1 6.183 -0.596 -1.975 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.259 1.721 -1.755 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 3.947 -0.205 -1.213 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 3.723 -0.367 -2.145 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -1.501 1.996 -0.981 0.00 0.00 +0.147 A ATOM 22 C LIG 1 -2.003 3.086 -1.680 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 -1.169 4.583 -1.822 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 -3.222 2.908 -2.285 0.00 0.00 +0.137 A ATOM 25 N LIG 1 -3.919 1.757 -2.232 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 -3.376 0.743 -1.545 0.00 0.00 +0.220 A ATOM 27 N LIG 1 -2.197 0.841 -0.911 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 -4.048 -0.446 -1.495 0.00 0.00 -0.293 N ATOM 29 C LIG 1 -5.465 -0.554 -1.808 0.00 0.00 +0.082 C ATOM 30 C LIG 1 -6.262 -0.015 -0.612 0.00 0.00 +0.098 C ATOM 31 C LIG 1 -5.875 -0.735 0.675 0.00 0.00 +0.252 C ATOM 32 C LIG 1 -4.385 -1.013 0.835 0.00 0.00 +0.098 C ATOM 33 F LIG 1 -6.548 -1.919 0.733 0.00 0.00 -0.206 F ATOM 34 F LIG 1 -6.319 -0.021 1.743 0.00 0.00 -0.206 F ATOM 35 C LIG 1 -5.609 -2.080 -1.967 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -4.483 -2.678 -1.100 0.00 0.00 +0.024 C ATOM 37 C LIG 1 -3.758 -1.461 -0.493 0.00 0.00 +0.082 C ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 7