REMARK Name = BDB036827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.232 -1.476 0.186 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -0.995 -0.873 0.473 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -1.142 0.332 1.289 0.00 0.00 +0.133 C ATOM 4 O LIG 1 0.328 -2.608 -0.286 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.209 -1.594 0.030 0.00 0.00 +0.163 C ATOM 6 C LIG 1 -3.518 -1.165 0.716 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -3.778 -1.430 1.889 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -4.349 -0.337 -0.002 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -5.167 -0.005 0.490 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.085 0.286 -1.195 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -4.813 1.185 -1.609 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -2.832 -0.136 -1.920 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -2.394 -1.527 -1.493 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 17 ATOM 14 C LIG 1 2.964 1.126 0.019 0.00 0.00 +0.156 A ATOM 15 C LIG 1 1.751 0.461 -0.189 0.00 0.00 +0.177 A ATOM 16 F LIG 1 0.829 1.005 -1.001 0.00 0.00 -0.201 F ATOM 17 C LIG 1 1.489 -0.755 0.442 0.00 0.00 +0.076 A ATOM 18 C LIG 1 2.457 -1.347 1.257 0.00 0.00 +0.016 A ATOM 19 C LIG 1 3.669 -0.691 1.470 0.00 0.00 +0.004 A ATOM 20 C LIG 1 3.921 0.543 0.858 0.00 0.00 +0.048 A BRANCH 14 22 ATOM 21 C LIG 1 4.346 2.997 -0.498 0.00 0.00 +0.277 C ATOM 22 O LIG 1 3.103 2.321 -0.633 0.00 0.00 -0.492 OA ENDBRANCH 14 22 ENDBRANCH 1 17 TORSDOF 3