REMARK Name = BDB005492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.408 -0.001 0.897 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.560 0.771 0.097 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.691 0.537 0.575 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.083 0.934 0.302 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.772 0.151 1.367 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.865 -0.541 2.223 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.089 -1.120 3.273 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.567 -0.289 1.643 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.729 -0.594 1.879 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.148 0.142 1.550 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.830 -1.146 1.994 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.242 -2.225 1.944 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -6.178 -1.033 2.355 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.867 -2.220 2.834 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.916 0.107 2.090 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -6.346 1.187 1.543 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -7.267 2.596 1.186 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.929 1.205 1.281 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.547 0.587 -1.099 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.892 1.611 -1.997 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.310 1.309 -3.296 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.386 -0.019 -3.709 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.899 -0.387 -5.309 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.049 -1.049 -2.835 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.631 -0.748 -1.537 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 3.470 -0.889 -0.220 0.00 0.00 +0.230 A ATOM 27 C LIG 1 2.847 -0.130 0.746 0.00 0.00 +0.097 A ATOM 28 C LIG 1 3.712 0.469 1.629 0.00 0.00 +0.131 A ATOM 29 N LIG 1 5.057 0.401 1.532 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 5.580 -0.332 0.534 0.00 0.00 +0.220 A ATOM 31 N LIG 1 4.810 -0.984 -0.353 0.00 0.00 -0.179 NA BRANCH 30 32 ATOM 32 N LIG 1 6.968 -0.391 0.395 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.704 -0.055 1.605 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.445 -1.540 -0.359 0.00 0.00 +0.132 C ENDBRANCH 30 32 BRANCH 26 36 ATOM 35 C LIG 1 3.389 -2.452 -1.971 0.00 0.00 +0.279 C ATOM 36 O LIG 1 2.665 -1.579 -1.110 0.00 0.00 -0.479 OA ENDBRANCH 26 36 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 0.876 1.713 -0.972 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.955 2.734 -0.607 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.167 1.033 -2.307 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6