REMARK Name = BDB024127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.494 -0.075 0.317 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.668 -1.578 0.150 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.460 -2.456 1.227 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.583 -3.835 1.053 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.915 -4.353 -0.197 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.127 -3.495 -1.274 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.005 -2.115 -1.103 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.050 -0.483 -0.036 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -0.378 -1.389 -0.349 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.004 0.394 0.452 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.766 1.512 0.919 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.198 -0.115 -0.265 0.00 0.00 +0.030 A ATOM 13 C LIG 1 3.507 -1.266 -0.664 0.00 0.00 +0.025 A ATOM 14 C LIG 1 2.110 -1.365 -0.578 0.00 0.00 +0.025 A ATOM 15 C LIG 1 1.347 -0.304 -0.086 0.00 0.00 +0.034 A ATOM 16 C LIG 1 2.009 0.851 0.312 0.00 0.00 +0.025 A ATOM 17 C LIG 1 3.408 0.938 0.223 0.00 0.00 +0.025 A BRANCH 12 22 ATOM 18 C LIG 1 9.482 1.184 -0.803 0.00 0.00 +0.105 C ATOM 19 N LIG 1 8.574 0.101 -0.437 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 7.713 -0.264 -1.584 0.00 0.00 +0.103 C ATOM 21 C LIG 1 6.374 -0.927 -1.186 0.00 0.00 +0.120 C ATOM 22 N LIG 1 5.575 -0.016 -0.350 0.00 0.00 -0.327 N ATOM 23 C LIG 1 6.330 0.944 0.475 0.00 0.00 +0.120 C ATOM 24 C LIG 1 7.766 0.439 0.754 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.238 0.435 1.494 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.844 1.352 1.729 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.683 0.550 1.278 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.090 1.765 0.430 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -6.591 1.883 0.310 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -7.312 2.697 1.196 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -8.702 2.793 1.095 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -9.376 2.072 0.111 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -11.089 2.190 -0.013 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -8.673 1.255 -0.771 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -7.284 1.159 -0.671 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8