REMARK Name = BDB011410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.975 -0.451 -1.001 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -1.074 -0.820 0.010 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.181 -0.614 -0.482 0.00 0.00 +0.059 A ATOM 4 C LIG 1 1.586 -0.793 -0.029 0.00 0.00 +0.178 C ATOM 5 N LIG 1 2.303 -0.379 -1.273 0.00 0.00 -0.248 N ATOM 6 C LIG 1 1.425 -0.059 -2.334 0.00 0.00 +0.254 C ATOM 7 O LIG 1 1.667 0.174 -3.506 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.105 -0.195 -1.779 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.238 -0.077 -2.125 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.688 -0.355 -1.385 0.00 0.00 +0.104 A ATOM 11 C LIG 1 4.349 0.729 -2.228 0.00 0.00 +0.273 A ATOM 12 O LIG 1 3.725 1.727 -2.583 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 5.718 0.568 -2.471 0.00 0.00 -0.315 N ATOM 14 C LIG 1 6.392 1.543 -3.312 0.00 0.00 +0.152 C ATOM 15 C LIG 1 6.480 -0.361 -1.783 0.00 0.00 +0.108 A ATOM 16 C LIG 1 5.920 -1.203 -0.908 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 6.870 -2.338 -0.031 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 4.491 -1.204 -0.717 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 1.985 0.049 1.173 0.00 0.00 +0.068 A ATOM 20 N LIG 1 2.494 -0.618 2.245 0.00 0.00 -0.256 NA ATOM 21 C LIG 1 2.884 0.122 3.314 0.00 0.00 +0.131 A ATOM 22 C LIG 1 2.791 1.503 3.373 0.00 0.00 +0.059 A ATOM 23 CL LIG 1 3.303 2.363 4.766 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 2.273 2.175 2.275 0.00 0.00 +0.023 A ATOM 25 C LIG 1 1.866 1.444 1.159 0.00 0.00 +0.027 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 -6.131 -0.688 -0.718 0.00 0.00 +0.321 A ATOM 27 N LIG 1 -5.544 0.332 -0.073 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 -4.202 0.403 -0.181 0.00 0.00 +0.230 A ATOM 29 C LIG 1 -3.431 -0.510 -0.886 0.00 0.00 +0.078 A ATOM 30 C LIG 1 -4.156 -1.505 -1.510 0.00 0.00 +0.131 A ATOM 31 N LIG 1 -5.496 -1.623 -1.437 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 -8.149 0.200 0.054 0.00 0.00 +0.280 C ATOM 33 O LIG 1 -7.498 -0.843 -0.659 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -3.539 1.438 0.455 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 -4.408 2.383 1.068 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 -1.451 -1.396 1.304 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -0.732 -2.712 1.608 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -1.317 -0.403 2.456 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6