REMARK Name = BDB031474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.559 -0.748 -0.166 0.00 0.00 +0.192 C ATOM 2 N LIG 1 2.700 0.222 0.928 0.00 0.00 -0.256 N ATOM 3 C LIG 1 1.495 0.756 1.329 0.00 0.00 +0.250 C ATOM 4 O LIG 1 1.291 1.662 2.114 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 0.445 0.009 0.639 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -0.927 0.110 0.805 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -1.760 -0.756 0.074 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -1.145 -1.716 -0.771 0.00 0.00 +0.007 A ATOM 9 C LIG 1 0.248 -1.797 -0.917 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.047 -0.910 -0.213 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.345 -2.027 0.157 0.00 0.00 +0.007 A ATOM 12 C LIG 1 4.649 -2.217 -0.346 0.00 0.00 +0.010 A ATOM 13 C LIG 1 5.387 -3.362 -0.036 0.00 0.00 +0.020 A ATOM 14 C LIG 1 4.840 -4.332 0.797 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 5.746 -5.742 1.181 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 3.567 -4.160 1.332 0.00 0.00 +0.020 A ATOM 17 C LIG 1 2.829 -3.012 1.022 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 2.742 -0.669 -2.593 0.00 0.00 +0.197 C ATOM 19 O LIG 1 3.023 -0.071 -1.338 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 -3.290 -0.689 0.231 0.00 0.00 +0.101 C ATOM 21 C LIG 1 -3.674 -1.165 1.639 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 -3.882 -1.616 -0.696 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 -3.885 -1.182 -1.566 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 -3.831 0.760 -0.064 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 -5.252 1.049 0.249 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 -5.530 2.490 0.039 0.00 0.00 +0.112 C ATOM 27 C LIG 1 -7.003 2.834 0.306 0.00 0.00 +0.175 C ATOM 28 O LIG 1 -7.868 2.063 -0.537 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 -7.663 0.667 -0.291 0.00 0.00 +0.175 C ATOM 30 C LIG 1 -6.204 0.258 -0.559 0.00 0.00 +0.112 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 31 ATOM 31 C LIG 1 3.978 0.753 1.377 0.00 0.00 +0.166 C BRANCH 31 32 ATOM 32 C LIG 1 4.636 1.708 0.404 0.00 0.00 +0.059 A ATOM 33 N LIG 1 5.800 1.308 -0.175 0.00 0.00 -0.257 NA ATOM 34 C LIG 1 6.375 2.161 -1.058 0.00 0.00 +0.131 A ATOM 35 C LIG 1 5.849 3.399 -1.392 0.00 0.00 +0.059 A ATOM 36 CL LIG 1 6.641 4.418 -2.524 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 4.666 3.798 -0.786 0.00 0.00 +0.023 A ATOM 38 C LIG 1 4.048 2.943 0.126 0.00 0.00 +0.026 A ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8