REMARK Name = BDB038576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.097 0.321 1.321 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.862 -0.328 1.186 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.694 0.416 1.045 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.733 1.759 1.036 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.908 2.418 1.183 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.097 1.717 1.343 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.446 -0.227 0.898 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.770 0.432 0.705 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.051 1.610 0.594 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.803 -0.611 0.632 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.191 -1.850 0.778 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.942 -3.010 0.740 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.324 -2.894 0.552 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.948 -1.630 0.411 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.166 -0.467 0.447 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.277 -1.667 0.954 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.442 -1.543 0.196 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.784 -1.960 -1.158 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 5.327 -1.346 -1.832 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.223 -2.014 -1.411 0.00 0.00 +0.084 C BRANCH 20 21 ATOM 21 C LIG 1 7.851 -0.639 -1.605 0.00 0.00 +0.003 C ATOM 22 C LIG 1 9.359 -0.671 -1.984 0.00 0.00 +0.005 C ATOM 23 C LIG 1 9.524 0.617 -1.155 0.00 0.00 +0.001 C ATOM 24 C LIG 1 8.286 0.171 -0.351 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -6.449 -0.265 0.541 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -5.354 -0.449 1.423 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.484 -1.403 2.455 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -6.656 -2.146 2.615 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -7.724 -1.943 1.750 0.00 0.00 +0.042 A ATOM 30 CL LIG 1 -9.170 -2.854 1.949 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -7.629 -1.008 0.724 0.00 0.00 +0.032 A BRANCH 25 34 ATOM 32 C LIG 1 -4.659 -0.302 -2.057 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.630 0.683 -1.668 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -6.436 0.704 -0.555 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -7.231 1.755 -0.648 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -6.915 2.444 -1.794 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -5.952 1.789 -2.395 0.00 0.00 +0.225 A ENDBRANCH 25 34 ENDBRANCH 1 26 BRANCH 5 38 ATOM 38 C LIG 1 -2.894 3.927 1.173 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -2.169 4.660 0.067 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -3.667 4.689 0.120 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 8