REMARK Name = BDB033976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.372 -0.029 -0.665 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.206 -1.423 -2.530 0.00 0.00 +0.213 C ATOM 3 N LIG 1 1.034 -0.175 -1.968 0.00 0.00 -0.304 N ATOM 4 H LIG 1 0.842 0.578 -2.622 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 1.026 -2.472 -1.923 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 1.883 -2.728 -4.579 0.00 0.00 +0.013 C ATOM 7 C LIG 1 1.661 -1.353 -3.975 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -1.091 0.354 -0.944 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.967 0.063 0.081 0.00 0.00 -0.309 N ATOM 10 H LIG 1 -1.562 -0.073 1.002 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -1.432 0.917 -1.986 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.337 0.589 0.082 0.00 0.00 +0.091 C BRANCH 12 13 ATOM 13 C LIG 1 -4.256 -0.373 0.862 0.00 0.00 +0.058 C BRANCH 13 14 ATOM 14 C LIG 1 -5.716 0.012 0.837 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -6.445 -0.037 -0.360 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -7.792 0.328 -0.384 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.425 0.740 0.787 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.713 0.784 1.984 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.365 0.420 2.010 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 12 13 BRANCH 12 20 ATOM 20 C LIG 1 -3.329 2.034 0.646 0.00 0.00 +0.100 C BRANCH 20 21 ATOM 21 N LIG 1 -2.732 2.119 1.988 0.00 0.00 -0.328 NA ATOM 22 H LIG 1 -3.376 1.712 2.666 0.00 0.00 +0.118 HD ATOM 23 H LIG 1 -2.658 3.104 2.247 0.00 0.00 +0.118 HD ENDBRANCH 20 21 ENDBRANCH 12 20 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 1.016 1.075 0.179 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 2.254 0.604 0.860 0.00 0.00 +0.062 A ATOM 26 N LIG 1 2.194 0.093 2.128 0.00 0.00 -0.240 NA ATOM 27 C LIG 1 3.431 -0.246 2.420 0.00 0.00 +0.204 A ATOM 28 N LIG 1 4.317 0.023 1.398 0.00 0.00 -0.306 N ATOM 29 C LIG 1 3.551 0.580 0.396 0.00 0.00 +0.116 A BRANCH 28 30 ATOM 30 C LIG 1 5.722 -0.221 1.381 0.00 0.00 +0.049 A ATOM 31 C LIG 1 6.490 0.117 0.256 0.00 0.00 +0.046 A ATOM 32 C LIG 1 7.866 -0.126 0.248 0.00 0.00 +0.043 A ATOM 33 CL LIG 1 8.796 0.294 -1.138 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 8.493 -0.702 1.349 0.00 0.00 +0.020 A ATOM 35 C LIG 1 7.739 -1.041 2.469 0.00 0.00 +0.003 A ATOM 36 C LIG 1 6.361 -0.803 2.489 0.00 0.00 +0.026 A ENDBRANCH 28 30 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11