REMARK Name = LIG001151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.574 0.407 0.807 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.113 -0.662 1.562 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.743 -1.601 2.009 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.668 -0.474 1.726 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.292 0.646 0.996 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -0.034 1.047 0.970 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -1.006 0.307 1.678 0.00 0.00 -0.043 A ATOM 8 C LIG 1 -0.573 -0.818 2.426 0.00 0.00 +0.005 A ATOM 9 C LIG 1 0.766 -1.224 2.450 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.479 1.229 0.308 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.571 -0.860 -1.139 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.486 -0.515 -0.678 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.312 -0.878 -1.287 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.400 -1.464 -2.107 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.039 -0.447 -0.993 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.102 -0.722 -1.742 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 4.907 0.486 0.221 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.036 0.231 1.220 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.375 0.399 0.519 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -2.454 0.757 1.641 0.00 0.00 +0.042 C ATOM 21 C LIG 1 -3.390 0.355 0.484 0.00 0.00 +0.100 C ATOM 22 C LIG 1 -3.599 -0.179 1.896 0.00 0.00 +0.033 C BRANCH 21 23 ATOM 23 C LIG 1 -2.924 -0.623 -0.599 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -2.006 -0.227 -1.590 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -1.590 -1.101 -2.599 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -2.103 -2.392 -2.646 0.00 0.00 +0.018 A ATOM 27 BR LIG 1 -1.549 -3.577 -4.009 0.00 0.00 -0.050 Br ATOM 28 C LIG 1 -3.030 -2.811 -1.698 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.438 -1.931 -0.691 0.00 0.00 +0.006 A ENDBRANCH 21 23 BRANCH 21 30 ATOM 30 C LIG 1 -4.328 1.418 -0.006 0.00 0.00 +0.318 C ATOM 31 O LIG 1 -3.950 2.546 -0.288 0.00 0.00 -0.250 OA BRANCH 30 32 ATOM 32 O LIG 1 -5.599 0.950 -0.117 0.00 0.00 -0.460 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.551 1.840 -0.740 0.00 0.00 +0.287 C BRANCH 33 34 ATOM 34 C LIG 1 -6.816 1.485 -2.215 0.00 0.00 +0.224 C ATOM 35 CL LIG 1 -8.082 2.576 -2.868 0.00 0.00 -0.080 Cl ATOM 36 CL LIG 1 -5.347 1.659 -3.220 0.00 0.00 -0.080 Cl ATOM 37 CL LIG 1 -7.407 -0.204 -2.353 0.00 0.00 -0.080 Cl ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 21 30 ENDBRANCH 7 20 TORSDOF 7