REMARK Name = BDB007810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.841 0.817 0.159 0.00 0.00 +0.168 A ATOM 2 C LIG 1 2.523 1.992 0.423 0.00 0.00 +0.172 A ATOM 3 N LIG 1 3.884 1.717 0.459 0.00 0.00 -0.204 NA ATOM 4 C LIG 1 3.980 0.430 0.198 0.00 0.00 +0.229 A ATOM 5 O LIG 1 2.769 -0.176 -0.009 0.00 0.00 -0.434 OA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 5.154 -0.429 0.092 0.00 0.00 +0.046 A ATOM 7 C LIG 1 6.447 0.136 0.254 0.00 0.00 +0.013 A ATOM 8 C LIG 1 7.565 -0.702 0.147 0.00 0.00 +0.066 A ATOM 9 N LIG 1 8.686 0.077 0.340 0.00 0.00 -0.359 N ATOM 10 H LIG 1 9.633 -0.278 0.317 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 8.329 1.375 0.566 0.00 0.00 +0.083 A ATOM 12 C LIG 1 7.457 -2.073 -0.112 0.00 0.00 +0.065 A ATOM 13 CL LIG 1 8.851 -3.069 -0.237 0.00 0.00 -0.081 Cl ATOM 14 C LIG 1 6.184 -2.619 -0.267 0.00 0.00 +0.023 A ATOM 15 C LIG 1 6.956 1.445 0.520 0.00 0.00 +0.028 A ATOM 16 C LIG 1 5.051 -1.812 -0.167 0.00 0.00 +0.015 A ENDBRANCH 4 6 BRANCH 1 20 ATOM 17 C LIG 1 -2.261 -0.440 -0.185 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -1.833 0.394 0.860 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -0.500 0.805 0.981 0.00 0.00 +0.013 A ATOM 20 C LIG 1 0.456 0.390 0.052 0.00 0.00 +0.020 A ATOM 21 C LIG 1 0.052 -0.461 -0.980 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -1.285 -0.869 -1.094 0.00 0.00 +0.024 A BRANCH 17 29 ATOM 23 C LIG 1 -6.967 0.988 -0.646 0.00 0.00 +0.029 C ATOM 24 C LIG 1 -6.031 -0.144 -0.187 0.00 0.00 +0.029 C ATOM 25 N LIG 1 -6.405 -1.345 -0.978 0.00 0.00 -0.308 NA ATOM 26 H LIG 1 -7.317 -1.685 -0.674 0.00 0.00 +0.123 HD ATOM 27 C LIG 1 -5.414 -2.425 -0.827 0.00 0.00 +0.100 C ATOM 28 C LIG 1 -3.962 -1.980 -1.102 0.00 0.00 +0.120 C ATOM 29 N LIG 1 -3.607 -0.828 -0.248 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -4.551 0.304 -0.430 0.00 0.00 +0.126 C ATOM 31 C LIG 1 -6.269 -0.387 1.317 0.00 0.00 +0.029 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 2 32 ATOM 32 C LIG 1 2.000 3.338 0.629 0.00 0.00 +0.264 C ATOM 33 O LIG 1 2.607 4.221 1.227 0.00 0.00 -0.269 OA ATOM 34 N LIG 1 0.780 3.623 0.076 0.00 0.00 -0.324 N ATOM 35 H LIG 1 0.500 4.594 0.104 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 0.345 3.023 -0.611 0.00 0.00 +0.145 HD ENDBRANCH 2 32 TORSDOF 4