REMARK Name = BDB015193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.594 -0.032 0.514 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.436 0.611 -0.199 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.161 1.659 0.373 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.853 2.072 1.670 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.164 1.451 2.392 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.883 0.405 1.816 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 4.751 -2.326 -1.183 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.432 -2.097 -0.863 0.00 0.00 +0.069 A ATOM 9 C LIG 1 2.777 -3.254 -1.282 0.00 0.00 +0.089 A ATOM 10 C LIG 1 1.392 -3.367 -1.108 0.00 0.00 +0.030 A ATOM 11 C LIG 1 0.695 -2.305 -0.516 0.00 0.00 +0.011 A ATOM 12 C LIG 1 1.353 -1.136 -0.096 0.00 0.00 -0.016 A ATOM 13 N LIG 1 3.657 -4.150 -1.833 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 2.747 -1.027 -0.269 0.00 0.00 +0.036 A ATOM 15 C LIG 1 4.830 -3.566 -1.763 0.00 0.00 +0.200 A BRANCH 7 21 ATOM 16 C LIG 1 9.348 1.747 1.003 0.00 0.00 +0.109 C ATOM 17 C LIG 1 8.141 1.976 0.125 0.00 0.00 +0.212 C ATOM 18 N LIG 1 7.258 0.910 -0.018 0.00 0.00 -0.302 N ATOM 19 C LIG 1 7.391 -0.342 0.724 0.00 0.00 +0.110 C ATOM 20 C LIG 1 6.202 -1.276 0.535 0.00 0.00 +0.044 C ATOM 21 C LIG 1 5.899 -1.456 -0.957 0.00 0.00 +0.092 C ATOM 22 C LIG 1 5.810 -0.125 -1.727 0.00 0.00 +0.044 C ATOM 23 C LIG 1 6.066 1.089 -0.841 0.00 0.00 +0.110 C ATOM 24 O LIG 1 7.972 3.062 -0.426 0.00 0.00 -0.276 OA ENDBRANCH 7 21 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 O LIG 1 -2.184 2.351 -0.210 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 -2.601 1.996 -1.527 0.00 0.00 +0.261 C BRANCH 26 27 ATOM 27 C LIG 1 -3.561 0.792 -1.561 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 O LIG 1 -3.608 0.269 -2.901 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 -2.729 -0.095 -3.104 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -5.011 1.157 -1.154 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -5.198 1.674 0.212 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -6.575 2.162 0.421 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -7.609 1.081 0.660 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -7.231 -0.190 1.133 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -8.212 -1.159 1.381 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -9.560 -0.865 1.184 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.939 0.398 0.734 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.773 -0.530 1.311 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -8.969 1.367 0.476 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -4.865 0.709 1.272 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 8