REMARK Name = BDB016763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.877 -1.092 -1.291 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.675 0.295 -1.163 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.368 0.775 -1.026 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.250 -0.049 -1.029 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.139 0.834 -0.865 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.543 2.110 -0.765 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.442 -1.434 -1.183 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.878 2.041 -0.869 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.407 2.904 -0.823 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.749 -1.930 -1.315 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 9.317 -1.569 -1.717 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 8.744 -1.200 -0.706 0.00 0.00 +0.228 C ATOM 13 C LIG 1 7.314 -1.528 -0.341 0.00 0.00 +0.081 C ATOM 14 C LIG 1 6.274 -1.651 -1.438 0.00 0.00 +0.040 C ATOM 15 C LIG 1 6.713 -2.869 -0.650 0.00 0.00 +0.031 C ATOM 16 C LIG 1 7.115 -0.862 0.992 0.00 0.00 -0.011 A ATOM 17 C LIG 1 8.312 -0.206 1.323 0.00 0.00 +0.038 A ATOM 18 C LIG 1 8.491 0.512 2.487 0.00 0.00 +0.023 A ATOM 19 C LIG 1 7.412 0.573 3.369 0.00 0.00 +0.002 A ATOM 20 C LIG 1 6.204 -0.082 3.070 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.053 -0.806 1.882 0.00 0.00 +0.006 A ATOM 22 N LIG 1 9.253 -0.413 0.311 0.00 0.00 -0.284 N ATOM 23 H LIG 1 10.199 -0.065 0.310 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 -0.234 0.420 -0.811 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.279 1.253 -0.662 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 -2.682 0.823 -0.618 0.00 0.00 -0.022 A ATOM 27 C LIG 1 -3.090 -0.336 0.051 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -4.439 -0.685 0.088 0.00 0.00 +0.128 A ATOM 29 F LIG 1 -4.790 -1.810 0.729 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -5.417 0.108 -0.516 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.008 1.270 -1.183 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -3.656 1.629 -1.223 0.00 0.00 +0.008 A BRANCH 30 33 ATOM 33 C LIG 1 -6.868 -0.312 -0.485 0.00 0.00 +0.122 C BRANCH 33 34 ATOM 34 N LIG 1 -7.786 0.782 -0.124 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 -9.179 0.413 -0.462 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -10.197 1.219 0.357 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -10.111 0.947 1.762 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -8.792 0.572 2.183 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -7.682 1.168 1.302 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5