REMARK Name = BDB060950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.062 -2.009 1.432 0.00 0.00 +0.080 A ATOM 2 C LIG 1 1.302 -1.425 1.728 0.00 0.00 +0.146 A ATOM 3 C LIG 1 2.151 -2.009 2.668 0.00 0.00 +0.055 A ATOM 4 C LIG 1 1.765 -3.181 3.341 0.00 0.00 -0.014 A ATOM 5 C LIG 1 0.517 -3.779 3.045 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.141 -4.954 3.713 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.983 -5.534 4.663 0.00 0.00 +0.001 A ATOM 8 C LIG 1 2.211 -4.947 4.955 0.00 0.00 +0.001 A ATOM 9 C LIG 1 2.600 -3.779 4.298 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -0.319 -3.188 2.084 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -1.016 -0.085 0.440 0.00 0.00 -0.278 N ATOM 12 H LIG 1 -0.509 0.430 1.153 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 -0.871 -1.454 0.412 0.00 0.00 +0.252 C ATOM 14 O LIG 1 -1.447 -2.240 -0.331 0.00 0.00 -0.270 OA BRANCH 11 17 ATOM 15 C LIG 1 -3.135 1.146 -2.391 0.00 0.00 +0.122 A ATOM 16 C LIG 1 -2.454 0.266 -1.544 0.00 0.00 +0.072 A ATOM 17 C LIG 1 -1.751 0.743 -0.436 0.00 0.00 +0.079 A ATOM 18 C LIG 1 -1.733 2.127 -0.166 0.00 0.00 +0.141 A ATOM 19 C LIG 1 -2.416 3.004 -1.012 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -3.113 2.514 -2.122 0.00 0.00 +0.049 A BRANCH 15 22 ATOM 21 C LIG 1 -4.541 1.388 -4.297 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -3.769 0.549 -3.447 0.00 0.00 -0.495 OA ENDBRANCH 15 22 BRANCH 18 23 ATOM 23 O LIG 1 -1.005 2.507 0.938 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -1.067 3.879 1.310 0.00 0.00 +0.277 C ENDBRANCH 18 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 2 25 ATOM 25 O LIG 1 1.674 -0.281 0.972 0.00 0.00 -0.411 OA BRANCH 25 26 ATOM 26 C LIG 1 2.691 0.633 1.237 0.00 0.00 +0.410 C ATOM 27 N LIG 1 2.795 1.657 0.326 0.00 0.00 -0.247 N ATOM 28 H LIG 1 3.284 2.451 0.715 0.00 0.00 +0.158 HD ATOM 29 O LIG 1 3.378 0.640 2.254 0.00 0.00 -0.226 OA BRANCH 27 30 ATOM 30 C LIG 1 2.136 1.824 -0.911 0.00 0.00 +0.080 A ATOM 31 C LIG 1 1.807 0.775 -1.796 0.00 0.00 +0.141 A ATOM 32 C LIG 1 1.105 1.067 -2.974 0.00 0.00 +0.049 A ATOM 33 C LIG 1 0.753 2.382 -3.287 0.00 0.00 +0.024 A ATOM 34 C LIG 1 1.127 3.415 -2.437 0.00 0.00 +0.043 A ATOM 35 CL LIG 1 0.695 5.036 -2.820 0.00 0.00 -0.083 Cl ATOM 36 C LIG 1 1.833 3.146 -1.267 0.00 0.00 +0.047 A BRANCH 31 37 ATOM 37 O LIG 1 2.296 -0.473 -1.509 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 1.733 -1.574 -2.215 0.00 0.00 +0.277 C ENDBRANCH 31 37 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 8