REMARK Name = BDB016757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.396 0.438 -2.278 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.171 1.817 -2.106 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.888 2.249 -1.748 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.817 1.385 -1.563 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.720 2.225 -1.185 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -1.089 3.518 -1.177 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.024 0.011 -1.782 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.385 3.497 -1.516 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.877 4.381 -1.573 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.305 -0.436 -2.138 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.032 -1.548 1.846 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.333 -0.826 0.685 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.065 -1.443 -0.322 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.541 -0.989 -1.675 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.767 -0.097 -2.627 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.306 -2.176 -2.212 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.232 -3.174 -1.257 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.668 -4.075 -1.375 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.873 -2.220 -3.291 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -7.006 0.417 -1.920 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.507 -2.762 -0.137 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.245 -3.495 1.000 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.495 -2.870 1.998 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.672 0.187 2.738 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.301 -1.079 2.905 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.648 1.836 -0.841 0.00 0.00 +0.003 A ATOM 27 C LIG 1 0.910 0.702 -0.072 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.230 0.344 0.245 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.334 1.098 -0.184 0.00 0.00 +0.030 A ATOM 30 C LIG 1 3.045 2.240 -0.946 0.00 0.00 +0.024 A ATOM 31 C LIG 1 1.730 2.610 -1.267 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 4.632 0.734 0.128 0.00 0.00 -0.327 N ATOM 33 C LIG 1 5.785 1.261 -0.620 0.00 0.00 +0.120 C ATOM 34 C LIG 1 6.984 0.291 -0.518 0.00 0.00 +0.103 C ATOM 35 N LIG 1 7.471 0.067 0.863 0.00 0.00 -0.297 NA ATOM 36 C LIG 1 6.351 0.130 1.831 0.00 0.00 +0.103 C ATOM 37 C LIG 1 4.938 -0.150 1.263 0.00 0.00 +0.120 C BRANCH 35 38 ATOM 38 C LIG 1 8.226 -1.202 0.936 0.00 0.00 +0.112 C BRANCH 38 39 ATOM 39 C LIG 1 9.134 -1.249 2.175 0.00 0.00 +0.171 C BRANCH 39 40 ATOM 40 O LIG 1 9.917 -0.059 2.244 0.00 0.00 -0.394 OA ATOM 41 H LIG 1 9.325 0.646 1.907 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 7