REMARK Name = BDB005756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.274 0.738 -0.102 0.00 0.00 +0.200 A ATOM 2 N LIG 1 0.009 0.523 0.413 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -0.739 1.665 0.187 0.00 0.00 +0.096 A ATOM 4 C LIG 1 0.104 2.459 -0.587 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -0.330 3.687 -1.087 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -1.626 4.045 -0.765 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -2.447 3.287 0.000 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -2.030 2.098 0.507 0.00 0.00 +0.099 A ATOM 9 N LIG 1 1.326 1.872 -0.757 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.239 -0.422 0.120 0.00 0.00 +0.121 C ATOM 11 C LIG 1 4.299 -1.018 1.175 0.00 0.00 +0.053 C ATOM 12 C LIG 1 3.004 -0.212 1.328 0.00 0.00 +0.076 C ATOM 13 C LIG 1 3.284 1.175 1.923 0.00 0.00 +0.028 C ATOM 14 N LIG 1 2.277 -0.170 0.034 0.00 0.00 -0.298 N ATOM 15 C LIG 1 3.081 -0.418 -1.180 0.00 0.00 +0.111 C ATOM 16 C LIG 1 4.475 0.179 -1.065 0.00 0.00 +0.050 C BRANCH 10 18 ATOM 17 C LIG 1 7.147 -1.809 0.503 0.00 0.00 +0.194 C ATOM 18 O LIG 1 6.110 -1.440 -0.397 0.00 0.00 -0.380 OA ENDBRANCH 10 18 ENDBRANCH 1 14 BRANCH 6 19 ATOM 19 C LIG 1 -2.217 5.318 -1.246 0.00 0.00 +0.201 A ATOM 20 N LIG 1 -1.480 6.245 -1.879 0.00 0.00 -0.270 N ATOM 21 H LIG 1 -0.500 6.268 -2.099 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -2.302 7.267 -2.164 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -1.977 8.300 -2.727 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -3.558 6.956 -1.717 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.457 5.664 -1.113 0.00 0.00 -0.053 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 C LIG 1 -2.983 1.396 1.349 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -4.160 0.850 0.821 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -5.046 0.176 1.656 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 -6.474 -0.533 1.022 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 -4.738 0.075 3.003 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -3.623 0.604 3.561 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 -2.788 1.268 2.724 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 2 33 ATOM 33 C LIG 1 -0.465 -0.737 0.962 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.366 -1.535 0.002 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -2.072 -2.663 0.770 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.961 -3.502 -0.144 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.171 -4.077 -1.325 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -3.088 -4.872 -2.252 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.457 -2.960 -2.096 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.573 -2.113 -1.183 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 6