REMARK Name = BDB009516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.846 -1.183 -2.904 0.00 0.00 +0.247 C ATOM 2 N LIG 1 2.174 0.020 -2.708 0.00 0.00 -0.295 N ATOM 3 C LIG 1 1.747 0.550 -1.405 0.00 0.00 +0.127 C ATOM 4 C LIG 1 0.402 1.291 -1.476 0.00 0.00 +0.127 C ATOM 5 N LIG 1 0.367 2.327 -2.518 0.00 0.00 -0.294 N ATOM 6 C LIG 1 -0.425 3.473 -2.482 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -0.326 4.386 -3.296 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.326 2.187 -3.618 0.00 0.00 +0.127 C ATOM 9 C LIG 1 1.685 0.726 -3.897 0.00 0.00 +0.127 C ATOM 10 O LIG 1 2.976 -1.704 -4.011 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 11 C LIG 1 6.770 -2.669 3.146 0.00 0.00 +0.086 C ATOM 12 C LIG 1 5.908 -2.590 1.945 0.00 0.00 +0.105 A ATOM 13 N LIG 1 5.196 -3.670 1.484 0.00 0.00 -0.342 N ATOM 14 H LIG 1 5.194 -4.593 1.889 0.00 0.00 +0.167 HD ATOM 15 C LIG 1 4.503 -3.282 0.365 0.00 0.00 +0.066 A ATOM 16 C LIG 1 4.841 -1.944 0.201 0.00 0.00 +0.090 A ATOM 17 C LIG 1 4.308 -1.223 -0.875 0.00 0.00 +0.043 A ATOM 18 C LIG 1 3.427 -1.887 -1.740 0.00 0.00 +0.039 A ATOM 19 C LIG 1 3.118 -3.243 -1.564 0.00 0.00 +0.015 A ATOM 20 C LIG 1 3.648 -3.972 -0.494 0.00 0.00 +0.028 A ATOM 21 N LIG 1 5.703 -1.533 1.187 0.00 0.00 -0.233 NA ENDBRANCH 1 18 BRANCH 6 22 ATOM 22 C LIG 1 -1.460 3.583 -1.439 0.00 0.00 +0.072 A ATOM 23 C LIG 1 -1.447 4.668 -0.569 0.00 0.00 +0.135 A ATOM 24 F LIG 1 -0.480 5.594 -0.627 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -2.428 4.790 0.411 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -3.425 3.817 0.529 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -3.450 2.716 -0.339 0.00 0.00 -0.041 A ATOM 28 C LIG 1 -2.476 2.624 -1.347 0.00 0.00 +0.020 A BRANCH 27 29 ATOM 29 C LIG 1 -4.512 1.646 -0.208 0.00 0.00 +0.092 C BRANCH 29 30 ATOM 30 C LIG 1 -3.915 0.266 0.066 0.00 0.00 +0.069 A ATOM 31 C LIG 1 -3.710 -0.189 1.477 0.00 0.00 -0.016 A ATOM 32 C LIG 1 -4.088 0.689 2.636 0.00 0.00 +0.037 C ATOM 33 C LIG 1 -3.533 0.202 3.979 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -3.679 -1.307 4.121 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.941 -2.032 2.995 0.00 0.00 +0.041 C ATOM 36 C LIG 1 -3.173 -1.409 1.646 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -2.785 -2.223 0.467 0.00 0.00 +0.268 A ATOM 38 O LIG 1 -2.259 -3.323 0.587 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -3.048 -1.667 -0.755 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -2.804 -2.215 -1.575 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -3.598 -0.446 -0.975 0.00 0.00 -0.175 NA ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 6 22 TORSDOF 4