REMARK Name = BDB049107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.166 2.579 -0.703 0.00 0.00 +0.111 A ATOM 2 N LIG 1 1.426 1.272 -1.069 0.00 0.00 -0.323 N ATOM 3 C LIG 1 2.536 0.846 -0.368 0.00 0.00 +0.070 A ATOM 4 C LIG 1 2.907 1.951 0.388 0.00 0.00 +0.089 A ATOM 5 C LIG 1 4.020 1.868 1.233 0.00 0.00 +0.030 A ATOM 6 C LIG 1 4.732 0.662 1.298 0.00 0.00 +0.011 A ATOM 7 C LIG 1 4.359 -0.459 0.537 0.00 0.00 -0.016 A ATOM 8 C LIG 1 3.239 -0.368 -0.316 0.00 0.00 +0.036 A ATOM 9 N LIG 1 2.066 3.006 0.161 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 5.123 -1.714 0.629 0.00 0.00 -0.016 A ATOM 11 C LIG 1 5.660 -2.319 -0.520 0.00 0.00 +0.028 A ATOM 12 C LIG 1 6.380 -3.511 -0.426 0.00 0.00 +0.042 A ATOM 13 CL LIG 1 7.027 -4.231 -1.849 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 6.581 -4.122 0.809 0.00 0.00 +0.020 A ATOM 15 C LIG 1 6.057 -3.537 1.959 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.335 -2.343 1.868 0.00 0.00 +0.008 A ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 C LIG 1 0.031 3.408 -1.219 0.00 0.00 +0.074 C BRANCH 17 19 ATOM 18 C LIG 1 -0.931 4.194 1.011 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -1.175 3.419 -0.277 0.00 0.00 +0.004 C ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 2 20 ATOM 20 C LIG 1 0.713 0.487 -2.069 0.00 0.00 +0.158 C BRANCH 20 21 ATOM 21 C LIG 1 -0.641 0.018 -1.598 0.00 0.00 -0.028 A ATOM 22 C LIG 1 -1.770 0.225 -2.404 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -3.035 -0.187 -1.978 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -3.203 -0.818 -0.739 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -2.070 -1.055 0.051 0.00 0.00 +0.009 A ATOM 26 C LIG 1 -0.803 -0.649 -0.376 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 -4.534 -1.231 -0.277 0.00 0.00 -0.004 A ATOM 28 C LIG 1 -5.365 -0.411 0.512 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -6.609 -0.885 0.964 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -7.038 -2.170 0.632 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.230 -2.987 -0.152 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.990 -2.523 -0.600 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 -4.971 0.976 0.863 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -4.428 1.795 0.149 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.292 1.264 2.139 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -4.957 2.177 2.260 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 8