REMARK Name = BDB043930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.633 -1.916 0.478 0.00 0.00 +0.025 C ATOM 2 C LIG 1 1.853 -1.364 0.422 0.00 0.00 +0.047 C ATOM 3 C LIG 1 2.316 0.027 0.414 0.00 0.00 +0.008 A ATOM 4 C LIG 1 3.713 -0.038 0.343 0.00 0.00 +0.042 A ATOM 5 C LIG 1 4.512 1.088 0.315 0.00 0.00 +0.024 A ATOM 6 C LIG 1 3.874 2.328 0.360 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.471 2.411 0.429 0.00 0.00 +0.001 A ATOM 8 N LIG 1 4.145 -1.361 0.304 0.00 0.00 -0.281 N ATOM 9 H LIG 1 5.102 -1.670 0.250 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 1.681 1.255 0.455 0.00 0.00 +0.010 A ATOM 11 C LIG 1 3.076 -2.241 0.346 0.00 0.00 +0.249 C ATOM 12 O LIG 1 3.122 -3.456 0.334 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 -3.036 0.247 0.791 0.00 0.00 +0.124 A ATOM 14 C LIG 1 -2.566 -0.130 -0.471 0.00 0.00 +0.091 A ATOM 15 C LIG 1 -1.365 -0.844 -0.599 0.00 0.00 +0.131 A ATOM 16 C LIG 1 -0.633 -1.179 0.556 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -1.109 -0.802 1.817 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -2.303 -0.092 1.929 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 -5.000 1.286 -0.067 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -4.185 0.945 1.047 0.00 0.00 -0.495 OA ENDBRANCH 13 20 BRANCH 15 21 ATOM 21 O LIG 1 -0.825 -1.254 -1.792 0.00 0.00 -0.494 OA ATOM 22 C LIG 1 -1.527 -0.932 -2.984 0.00 0.00 +0.277 C ENDBRANCH 15 21 ENDBRANCH 1 16 TORSDOF 3