REMARK Name = BDB011395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.753 0.369 -1.113 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.970 -0.543 -0.401 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.333 -0.202 -0.622 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.665 -0.665 -0.158 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.528 0.225 -0.987 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.782 1.168 -1.741 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.180 2.112 -2.403 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.405 0.842 -1.493 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.895 1.223 -1.813 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.879 -0.015 -1.214 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.420 0.084 -2.639 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.660 0.095 -3.605 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.813 0.053 -2.772 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.385 0.201 -4.101 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.643 -0.298 -1.723 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -6.148 -0.550 -0.506 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -7.173 -1.020 0.794 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.738 -0.389 -0.249 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.847 -0.486 1.340 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -1.788 0.781 1.946 0.00 0.00 +0.045 A ATOM 21 C LIG 1 -1.940 0.912 3.325 0.00 0.00 +0.141 A ATOM 22 F LIG 1 -1.876 2.138 3.864 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -2.153 -0.202 4.130 0.00 0.00 +0.087 A ATOM 24 C LIG 1 -2.214 -1.469 3.542 0.00 0.00 +0.022 A ATOM 25 C LIG 1 -2.061 -1.610 2.158 0.00 0.00 +0.007 A BRANCH 23 26 ATOM 26 C LIG 1 -2.304 -0.054 5.544 0.00 0.00 +0.102 C ATOM 27 N LIG 1 -2.428 0.024 6.696 0.00 0.00 -0.191 NA ENDBRANCH 23 26 ENDBRANCH 4 19 BRANCH 1 31 ATOM 28 C LIG 1 5.918 0.531 -1.220 0.00 0.00 +0.321 A ATOM 29 N LIG 1 5.320 1.134 -0.181 0.00 0.00 -0.159 NA ATOM 30 C LIG 1 3.973 1.077 -0.163 0.00 0.00 +0.230 A ATOM 31 C LIG 1 3.212 0.422 -1.119 0.00 0.00 +0.078 A ATOM 32 C LIG 1 3.945 -0.136 -2.146 0.00 0.00 +0.131 A ATOM 33 N LIG 1 5.291 -0.110 -2.215 0.00 0.00 -0.202 NA BRANCH 28 35 ATOM 34 C LIG 1 7.925 1.279 -0.288 0.00 0.00 +0.280 C ATOM 35 O LIG 1 7.292 0.531 -1.316 0.00 0.00 -0.466 OA ENDBRANCH 28 35 BRANCH 30 36 ATOM 36 O LIG 1 3.295 1.695 0.875 0.00 0.00 -0.479 OA ATOM 37 C LIG 1 4.141 2.424 1.757 0.00 0.00 +0.279 C ENDBRANCH 30 36 ENDBRANCH 1 31 BRANCH 2 38 ATOM 38 C LIG 1 1.390 -1.678 0.422 0.00 0.00 +0.081 C ATOM 39 C LIG 1 2.302 -2.667 -0.305 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.967 -1.256 1.771 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7