REMARK Name = BDB010753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.537 -1.551 0.098 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.770 -0.350 -0.560 0.00 0.00 -0.306 N ATOM 3 C LIG 1 1.859 0.241 0.071 0.00 0.00 +0.116 A ATOM 4 C LIG 1 2.118 -0.594 1.148 0.00 0.00 +0.184 A ATOM 5 N LIG 1 3.061 -0.376 2.079 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 3.747 0.753 1.861 0.00 0.00 +0.202 A ATOM 7 N LIG 1 3.601 1.618 0.843 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 2.659 1.370 -0.095 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.319 -1.687 1.143 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 4.790 1.059 2.866 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.978 0.215 3.894 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.479 -0.640 4.080 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.967 0.724 4.640 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.420 0.234 5.661 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 6.389 1.895 4.060 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.584 2.080 2.889 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 2.616 2.305 -1.209 0.00 0.00 +0.004 A ATOM 18 C LIG 1 2.119 3.605 -1.031 0.00 0.00 +0.030 A ATOM 19 C LIG 1 2.076 4.497 -2.103 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 1.435 6.077 -1.872 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 2.541 4.117 -3.360 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.060 2.838 -3.547 0.00 0.00 +0.002 A ATOM 23 C LIG 1 3.102 1.940 -2.477 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -1.311 -3.042 0.720 0.00 0.00 +0.102 C ATOM 25 N LIG 1 -0.369 -2.473 -0.330 0.00 0.00 -0.293 N ATOM 26 C LIG 1 0.307 -3.583 -1.084 0.00 0.00 +0.136 C ATOM 27 C LIG 1 -0.579 -4.830 -1.161 0.00 0.00 +0.179 C ATOM 28 O LIG 1 -0.831 -5.409 0.125 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 -0.830 -4.437 1.187 0.00 0.00 +0.182 C BRANCH 24 31 ATOM 30 C LIG 1 -2.880 -2.450 2.648 0.00 0.00 +0.006 C ATOM 31 C LIG 1 -1.592 -2.102 1.910 0.00 0.00 +0.021 C ENDBRANCH 24 31 ENDBRANCH 1 25 BRANCH 2 32 ATOM 32 C LIG 1 0.003 0.233 -1.663 0.00 0.00 +0.091 C ATOM 33 C LIG 1 -0.034 -0.638 -2.922 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 C LIG 1 -1.376 0.880 -1.308 0.00 0.00 +0.012 C ATOM 35 C LIG 1 -1.324 1.712 -0.014 0.00 0.00 +0.006 C ATOM 36 C LIG 1 -2.646 2.424 0.269 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -3.820 1.440 0.303 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -5.133 2.177 0.559 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -3.891 0.647 -1.006 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -2.577 -0.077 -1.305 0.00 0.00 +0.006 C ENDBRANCH 32 34 ENDBRANCH 2 32 TORSDOF 6