REMARK Name = BDB002053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.635 -0.487 -1.370 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -0.638 -0.480 -0.420 0.00 0.00 -0.305 N ATOM 3 H LIG 1 -0.703 0.192 0.330 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -1.496 -1.012 -2.469 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.869 0.683 -3.371 0.00 0.00 +0.070 C ATOM 6 C LIG 1 -3.845 0.726 -1.889 0.00 0.00 +0.093 A ATOM 7 C LIG 1 -2.853 0.212 -1.005 0.00 0.00 +0.101 A ATOM 8 C LIG 1 -3.360 0.502 0.247 0.00 0.00 +0.147 A ATOM 9 C LIG 1 -2.945 0.236 1.639 0.00 0.00 +0.090 C ATOM 10 O LIG 1 -4.535 1.173 0.115 0.00 0.00 -0.359 OA ATOM 11 N LIG 1 -4.843 1.315 -1.220 0.00 0.00 -0.083 NA ENDBRANCH 1 7 BRANCH 2 12 ATOM 12 C LIG 1 0.673 -1.049 -0.685 0.00 0.00 +0.101 C ATOM 13 C LIG 1 0.638 -2.580 -0.697 0.00 0.00 +0.033 C BRANCH 12 14 ATOM 14 C LIG 1 1.667 -0.515 0.334 0.00 0.00 -0.024 A ATOM 15 C LIG 1 2.667 0.384 -0.077 0.00 0.00 +0.055 A ATOM 16 C LIG 1 3.540 0.871 0.872 0.00 0.00 +0.167 A ATOM 17 O LIG 1 4.559 1.742 0.640 0.00 0.00 -0.453 OA ATOM 18 C LIG 1 5.108 1.877 1.968 0.00 0.00 +0.466 C ATOM 19 O LIG 1 4.405 1.101 2.961 0.00 0.00 -0.453 OA ATOM 20 C LIG 1 3.452 0.507 2.194 0.00 0.00 +0.166 A ATOM 21 C LIG 1 2.485 -0.363 2.643 0.00 0.00 +0.050 A ATOM 22 C LIG 1 1.584 -0.875 1.703 0.00 0.00 +0.009 A ENDBRANCH 12 14 ENDBRANCH 2 12 TORSDOF 3