REMARK Name = BDB011309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.681 0.246 -0.994 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.820 0.445 0.098 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.454 0.424 -0.392 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.839 0.583 0.125 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.606 0.476 -1.161 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.754 0.338 -2.285 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.021 0.332 -3.474 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.422 0.282 -1.748 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.904 0.161 -2.149 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.985 0.645 -1.232 0.00 0.00 +0.057 A ATOM 11 C LIG 1 -4.819 -0.179 -2.119 0.00 0.00 -0.022 A ATOM 12 C LIG 1 -4.278 -1.403 -2.806 0.00 0.00 +0.046 C ATOM 13 C LIG 1 -6.138 0.071 -2.214 0.00 0.00 +0.075 A ATOM 14 C LIG 1 -6.792 1.141 -1.424 0.00 0.00 +0.251 A ATOM 15 O LIG 1 -7.989 1.360 -1.581 0.00 0.00 -0.268 OA ATOM 16 N LIG 1 -5.969 1.801 -0.522 0.00 0.00 -0.316 N ATOM 17 C LIG 1 -6.534 2.854 0.306 0.00 0.00 +0.152 C ATOM 18 C LIG 1 -4.608 1.556 -0.455 0.00 0.00 +0.112 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.274 -0.476 1.121 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.110 -1.849 0.857 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.534 -2.810 1.777 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.134 -2.410 2.968 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.654 -3.592 4.104 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.315 -1.057 3.245 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.890 -0.095 2.326 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 3.866 -0.851 -0.374 0.00 0.00 +0.228 A ATOM 27 C LIG 1 3.140 0.194 -0.912 0.00 0.00 +0.078 A ATOM 28 C LIG 1 3.920 1.213 -1.406 0.00 0.00 +0.129 A ATOM 29 N LIG 1 5.269 1.228 -1.354 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 5.889 0.174 -0.797 0.00 0.00 +0.220 A ATOM 31 N LIG 1 5.213 -0.872 -0.297 0.00 0.00 -0.179 NA BRANCH 30 32 ATOM 32 N LIG 1 7.283 0.156 -0.758 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.913 1.456 -0.914 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.853 -0.738 0.237 0.00 0.00 +0.132 C ENDBRANCH 30 32 BRANCH 26 36 ATOM 35 C LIG 1 3.985 -3.017 0.525 0.00 0.00 +0.279 C ATOM 36 O LIG 1 3.157 -1.929 0.128 0.00 0.00 -0.479 OA ENDBRANCH 26 36 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 1.253 0.719 1.470 0.00 0.00 +0.081 C ATOM 38 C LIG 1 1.033 -0.461 2.414 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.659 2.010 2.036 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6