REMARK Name = BDB009143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.657 -0.107 2.048 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.280 -1.115 1.387 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.394 -0.632 0.510 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -1.638 0.836 0.305 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -3.004 1.141 -0.320 0.00 0.00 +0.005 C ATOM 6 C LIG 1 -3.301 0.193 -1.474 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -3.294 -1.263 -1.004 0.00 0.00 +0.041 C ATOM 8 C LIG 1 -2.157 -1.575 -0.070 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.897 -3.012 0.194 0.00 0.00 +0.268 A ATOM 10 O LIG 1 -2.582 -3.897 -0.308 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 -0.853 -3.286 1.035 0.00 0.00 -0.243 N ATOM 12 H LIG 1 -0.657 -4.263 1.229 0.00 0.00 +0.192 HD ATOM 13 N LIG 1 -0.041 -2.371 1.627 0.00 0.00 -0.175 NA ENDBRANCH 1 2 BRANCH 1 18 ATOM 14 C LIG 1 3.281 0.392 -0.688 0.00 0.00 +0.067 A ATOM 15 C LIG 1 3.435 1.784 -0.641 0.00 0.00 +0.137 A ATOM 16 C LIG 1 2.680 2.566 0.229 0.00 0.00 +0.047 A ATOM 17 C LIG 1 1.770 1.951 1.089 0.00 0.00 +0.008 A ATOM 18 C LIG 1 1.614 0.556 1.084 0.00 0.00 -0.040 A ATOM 19 C LIG 1 2.402 -0.214 0.212 0.00 0.00 +0.030 A BRANCH 14 20 ATOM 20 N LIG 1 4.145 -0.392 -1.471 0.00 0.00 -0.355 N ATOM 21 H LIG 1 3.734 -1.260 -1.794 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 4.552 0.168 -2.219 0.00 0.00 +0.142 HD ENDBRANCH 14 20 BRANCH 15 23 ATOM 23 O LIG 1 4.340 2.362 -1.494 0.00 0.00 -0.505 OA ATOM 24 H LIG 1 4.437 3.295 -1.246 0.00 0.00 +0.292 HD ENDBRANCH 15 23 ENDBRANCH 1 18 TORSDOF 4