REMARK Name = BDB019146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.421 0.231 0.219 0.00 0.00 +0.026 A ATOM 2 C LIG 1 0.507 -0.768 -0.226 0.00 0.00 +0.090 A ATOM 3 N LIG 1 -0.835 -0.457 -0.087 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.552 -1.552 -0.482 0.00 0.00 +0.207 A ATOM 5 N LIG 1 -0.779 -2.509 -0.936 0.00 0.00 -0.230 NA ATOM 6 C LIG 1 -1.300 0.773 0.414 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.450 1.670 0.831 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 0.513 -2.034 -0.788 0.00 0.00 +0.152 A ATOM 9 C LIG 1 0.892 1.369 0.722 0.00 0.00 +0.125 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.675 -0.035 0.235 0.00 0.00 +0.088 A ATOM 11 C LIG 1 4.947 -0.569 1.301 0.00 0.00 +0.027 A ATOM 12 C LIG 1 3.554 -0.472 1.297 0.00 0.00 +0.010 A ATOM 13 C LIG 1 2.890 0.142 0.224 0.00 0.00 -0.014 A ATOM 14 C LIG 1 3.635 0.675 -0.839 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.028 0.581 -0.839 0.00 0.00 +0.027 A BRANCH 10 17 ATOM 16 C LIG 1 7.989 1.272 1.055 0.00 0.00 +0.200 C ATOM 17 S LIG 1 7.444 -0.194 0.218 0.00 0.00 -0.006 S ATOM 18 O LIG 1 7.792 -1.338 1.039 0.00 0.00 -0.170 OA ATOM 19 O LIG 1 7.881 -0.112 -1.163 0.00 0.00 -0.170 OA ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 8 20 ATOM 20 C LIG 1 1.750 -2.904 -1.229 0.00 0.00 +0.248 A ATOM 21 O LIG 1 1.606 -4.167 -1.765 0.00 0.00 -0.442 OA ATOM 22 C LIG 1 2.876 -4.585 -2.013 0.00 0.00 +0.217 A ATOM 23 C LIG 1 3.731 -3.586 -1.633 0.00 0.00 +0.153 A ATOM 24 N LIG 1 3.013 -2.527 -1.142 0.00 0.00 -0.216 NA ENDBRANCH 8 20 BRANCH 6 25 ATOM 25 N LIG 1 -2.650 1.043 0.492 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -2.745 1.873 1.081 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.387 1.304 -0.744 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -4.797 1.710 -0.423 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -5.707 0.853 0.192 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.529 -0.529 0.701 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -6.992 -0.893 0.953 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -7.761 0.320 1.113 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -6.998 1.273 0.489 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -7.447 2.544 0.196 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -6.559 3.416 -0.434 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.257 2.996 -0.736 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -4.432 3.867 -1.336 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6