REMARK Name = BDB042424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.947 1.697 -0.735 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.278 0.398 -0.362 0.00 0.00 -0.020 A ATOM 3 C LIG 1 -1.114 0.227 -0.536 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.743 -1.014 -0.236 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.972 -2.060 0.273 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.396 -1.884 0.484 0.00 0.00 +0.011 A ATOM 7 C LIG 1 1.037 -0.668 0.182 0.00 0.00 -0.013 A ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 -3.146 -1.113 -0.433 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.591 -2.296 -1.212 0.00 0.00 +0.120 C ATOM 10 C LIG 1 -4.403 -3.302 -0.365 0.00 0.00 +0.103 C ATOM 11 N LIG 1 -5.561 -2.736 0.360 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 -6.810 -2.921 -0.374 0.00 0.00 +0.105 C ATOM 13 C LIG 1 -5.356 -1.304 0.681 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -3.869 -0.924 0.853 0.00 0.00 +0.120 C ENDBRANCH 4 8 BRANCH 7 15 ATOM 15 C LIG 1 2.478 -0.553 0.453 0.00 0.00 -0.018 A ATOM 16 C LIG 1 3.418 -1.178 -0.384 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.787 -1.074 -0.123 0.00 0.00 +0.013 A ATOM 18 C LIG 1 5.229 -0.331 0.976 0.00 0.00 +0.037 A ATOM 19 C LIG 1 4.307 0.272 1.835 0.00 0.00 +0.013 A ATOM 20 C LIG 1 2.940 0.167 1.569 0.00 0.00 +0.009 A BRANCH 18 21 ATOM 21 C LIG 1 6.673 -0.229 1.287 0.00 0.00 +0.246 C ATOM 22 N LIG 1 7.549 0.208 0.295 0.00 0.00 -0.304 N ATOM 23 C LIG 1 7.152 0.973 -0.879 0.00 0.00 +0.132 C ATOM 24 C LIG 1 8.974 0.161 0.572 0.00 0.00 +0.132 C ATOM 25 O LIG 1 7.033 -0.555 2.416 0.00 0.00 -0.270 OA ENDBRANCH 18 21 ENDBRANCH 7 15 BRANCH 3 26 ATOM 26 N LIG 1 -1.967 1.267 -1.027 0.00 0.00 -0.296 N ATOM 27 H LIG 1 -2.872 0.804 -1.186 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.274 2.457 -0.294 0.00 0.00 +0.149 A ATOM 29 C LIG 1 -3.218 3.319 -0.860 0.00 0.00 +0.102 A ATOM 30 C LIG 1 -3.544 4.395 -0.045 0.00 0.00 +0.155 A ATOM 31 CL LIG 1 -4.757 5.530 -0.514 0.00 0.00 -0.060 Cl ATOM 32 N LIG 1 -2.969 4.694 1.132 0.00 0.00 -0.222 NA ATOM 33 C LIG 1 -2.036 3.827 1.528 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -1.660 2.720 0.878 0.00 0.00 -0.219 NA BRANCH 29 35 ATOM 35 N LIG 1 -3.926 2.972 -2.038 0.00 0.00 -0.353 N ATOM 36 H LIG 1 -3.337 2.430 -2.671 0.00 0.00 +0.143 HD ATOM 37 H LIG 1 -4.342 3.783 -2.493 0.00 0.00 +0.143 HD ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 3 26 TORSDOF 6