REMARK Name = BDB011090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.378 -0.220 0.627 0.00 0.00 +0.116 A ATOM 2 N LIG 1 -0.237 0.064 -0.113 0.00 0.00 -0.324 N ATOM 3 C LIG 1 -0.124 1.441 -0.176 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -1.075 1.893 0.728 0.00 0.00 +0.182 A ATOM 5 N LIG 1 -1.262 3.178 1.066 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.424 4.002 0.425 0.00 0.00 +0.202 A ATOM 7 N LIG 1 0.503 3.681 -0.496 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 0.657 2.382 -0.842 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -1.835 0.874 1.205 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.557 5.433 0.779 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.488 5.803 1.675 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.138 5.206 2.159 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.392 7.132 1.810 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.075 7.830 2.541 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.389 7.581 0.987 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.138 6.425 0.323 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 1.607 2.120 -1.916 0.00 0.00 +0.004 A ATOM 18 C LIG 1 1.179 1.619 -3.157 0.00 0.00 +0.030 A ATOM 19 C LIG 1 2.097 1.387 -4.182 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 1.552 0.744 -5.681 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 3.448 1.667 -4.000 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.885 2.193 -2.786 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.969 2.425 -1.757 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -2.547 -1.805 2.166 0.00 0.00 +0.016 C ATOM 25 C LIG 1 -2.046 -1.573 0.734 0.00 0.00 +0.055 C BRANCH 25 26 ATOM 26 C LIG 1 -3.145 -1.715 -0.353 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -3.519 -3.191 -0.601 0.00 0.00 +0.032 C ATOM 28 C LIG 1 -4.911 -3.343 -1.212 0.00 0.00 +0.160 C ATOM 29 O LIG 1 -5.206 -2.222 -2.036 0.00 0.00 -0.380 OA ATOM 30 C LIG 1 -5.383 -1.021 -1.281 0.00 0.00 +0.160 C ATOM 31 C LIG 1 -4.423 -0.907 -0.094 0.00 0.00 +0.032 C ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 2 32 ATOM 32 C LIG 1 0.643 -0.918 -0.723 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 1.815 -1.451 0.139 0.00 0.00 +0.009 C ATOM 34 C LIG 1 1.379 -2.298 1.337 0.00 0.00 +0.005 C ATOM 35 C LIG 1 2.565 -3.001 2.008 0.00 0.00 +0.003 C ATOM 36 C LIG 1 3.852 -2.162 2.073 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.907 -2.668 1.084 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.562 -0.675 1.871 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.816 -0.363 0.570 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 6