REMARK Name = BDB016420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.826 -0.850 -0.038 0.00 0.00 -0.006 A ATOM 2 C LIG 1 1.686 -1.530 0.411 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.421 -1.029 0.059 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.254 0.127 -0.730 0.00 0.00 +0.038 A ATOM 5 N LIG 1 -1.054 0.573 -1.059 0.00 0.00 -0.298 N ATOM 6 C LIG 1 -1.125 1.584 -2.128 0.00 0.00 +0.111 C ATOM 7 C LIG 1 -0.127 2.694 -1.852 0.00 0.00 +0.027 C ATOM 8 C LIG 1 1.295 2.132 -1.917 0.00 0.00 +0.019 C ATOM 9 C LIG 1 2.272 3.231 -1.479 0.00 0.00 +0.012 C ATOM 10 C LIG 1 1.407 0.844 -1.114 0.00 0.00 -0.023 A ATOM 11 C LIG 1 2.676 0.324 -0.792 0.00 0.00 +0.014 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.215 -0.277 -1.141 0.00 0.00 +0.057 A ATOM 13 C LIG 1 -3.383 0.078 -0.388 0.00 0.00 +0.070 A ATOM 14 N LIG 1 -3.277 1.262 0.360 0.00 0.00 -0.338 N ATOM 15 H LIG 1 -2.281 1.452 0.510 0.00 0.00 +0.146 HD ATOM 16 C LIG 1 -4.096 1.524 1.527 0.00 0.00 +0.076 C ATOM 17 C LIG 1 -5.537 1.723 1.126 0.00 0.00 +0.118 C ATOM 18 C LIG 1 -6.285 0.455 0.871 0.00 0.00 +0.219 C ATOM 19 N LIG 1 -5.778 -0.536 0.101 0.00 0.00 -0.284 N ATOM 20 H LIG 1 -6.464 -1.270 -0.027 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 -7.431 0.313 1.312 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -3.850 0.528 2.658 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.528 -0.728 -0.520 0.00 0.00 +0.056 A ATOM 24 C LIG 1 -4.465 -1.883 -1.328 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -3.313 -2.232 -2.031 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -2.190 -1.425 -1.946 0.00 0.00 +0.025 A ENDBRANCH 5 12 BRANCH 2 27 ATOM 27 C LIG 1 1.790 -2.787 1.239 0.00 0.00 +0.372 C ATOM 28 F LIG 1 2.370 -3.809 0.548 0.00 0.00 -0.204 F ATOM 29 F LIG 1 0.580 -3.270 1.647 0.00 0.00 -0.204 F ENDBRANCH 2 27 BRANCH 1 31 ATOM 30 C LIG 1 4.825 -0.793 1.344 0.00 0.00 +0.077 C ATOM 31 C LIG 1 4.189 -1.310 0.277 0.00 0.00 +0.013 C BRANCH 30 33 ATOM 32 C LIG 1 6.900 -0.255 2.622 0.00 0.00 +0.125 C ATOM 33 N LIG 1 6.069 -1.130 1.829 0.00 0.00 -0.352 N ATOM 34 H LIG 1 6.578 -1.730 1.161 0.00 0.00 +0.145 HD ENDBRANCH 30 33 BRANCH 31 35 ATOM 35 C LIG 1 4.826 -2.361 -0.571 0.00 0.00 +0.111 C ATOM 36 N LIG 1 6.075 -2.698 -0.537 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.240 -3.445 -1.223 0.00 0.00 +0.186 HD ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 5