REMARK Name = BDB036825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.580 -0.621 -0.257 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.392 0.346 -0.154 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.127 1.329 -0.103 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.311 -1.798 -0.479 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.795 0.054 -0.410 0.00 0.00 +0.160 C ATOM 6 C LIG 1 -2.545 1.368 -0.653 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -1.976 2.426 -0.921 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -3.914 1.303 -0.569 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -4.399 2.178 -0.714 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.634 0.351 0.108 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -5.811 0.541 0.400 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.914 -0.935 0.437 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -2.449 -0.681 0.755 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 16 ATOM 14 C LIG 1 4.350 -0.848 -0.088 0.00 0.00 +0.053 A ATOM 15 C LIG 1 2.998 -1.185 -0.228 0.00 0.00 +0.034 A ATOM 16 C LIG 1 2.000 -0.203 -0.100 0.00 0.00 +0.073 A ATOM 17 C LIG 1 2.381 1.113 0.170 0.00 0.00 +0.136 A ATOM 18 F LIG 1 1.469 2.087 0.303 0.00 0.00 -0.205 F ATOM 19 C LIG 1 3.725 1.456 0.311 0.00 0.00 +0.040 A ATOM 20 C LIG 1 4.711 0.477 0.181 0.00 0.00 +0.022 A BRANCH 14 22 ATOM 21 N LIG 1 6.187 -2.664 -0.326 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 5.362 -1.856 -0.221 0.00 0.00 +0.099 C ENDBRANCH 14 22 ENDBRANCH 1 16 TORSDOF 3