REMARK Name = BDB023111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.533 0.193 -0.132 0.00 0.00 +0.061 A ATOM 2 C LIG 1 -0.185 -0.363 -1.232 0.00 0.00 +0.152 A ATOM 3 N LIG 1 -1.565 -0.298 -1.173 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -2.048 -0.838 -2.342 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.934 -1.245 -3.037 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -2.254 0.275 -0.090 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.591 0.809 0.898 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.216 -0.947 -2.347 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.213 0.739 0.855 0.00 0.00 +0.128 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.542 1.079 -2.277 0.00 0.00 +0.173 C ATOM 11 N LIG 1 2.824 0.554 -0.959 0.00 0.00 -0.266 N ATOM 12 C LIG 1 1.950 0.179 0.034 0.00 0.00 +0.074 A ATOM 13 C LIG 1 2.757 -0.173 1.098 0.00 0.00 +0.063 A ATOM 14 C LIG 1 4.100 0.011 0.673 0.00 0.00 +0.148 A ATOM 15 N LIG 1 4.121 0.457 -0.595 0.00 0.00 -0.166 NA BRANCH 14 16 ATOM 16 C LIG 1 5.295 -0.295 1.495 0.00 0.00 +0.267 C ATOM 17 N LIG 1 6.563 0.113 1.075 0.00 0.00 -0.292 N ATOM 18 C LIG 1 7.737 -0.366 1.802 0.00 0.00 +0.136 C ATOM 19 C LIG 1 8.944 -0.479 0.867 0.00 0.00 +0.179 C ATOM 20 O LIG 1 9.302 0.753 0.227 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 8.223 1.691 0.127 0.00 0.00 +0.179 C ATOM 22 C LIG 1 6.844 1.037 -0.028 0.00 0.00 +0.136 C ATOM 23 O LIG 1 5.160 -0.917 2.552 0.00 0.00 -0.268 OA ENDBRANCH 14 16 ENDBRANCH 1 12 BRANCH 5 24 ATOM 24 C LIG 1 -0.899 -1.881 -4.319 0.00 0.00 +0.121 C ATOM 25 N LIG 1 -0.897 -2.394 -5.361 0.00 0.00 -0.189 NA ENDBRANCH 5 24 BRANCH 6 26 ATOM 26 N LIG 1 -3.630 0.306 -0.079 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -3.917 0.986 0.624 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.360 -0.934 0.168 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 -5.825 -0.701 -0.045 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -6.660 -0.189 0.943 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.356 0.253 2.325 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -7.779 0.397 2.864 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -8.688 0.572 1.754 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -8.005 0.051 0.686 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -8.578 -0.195 -0.545 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -7.763 -0.715 -1.549 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -6.407 -0.959 -1.295 0.00 0.00 +0.129 A ATOM 38 F LIG 1 -5.649 -1.450 -2.287 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 6