REMARK Name = BDB034975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.517 -1.367 -1.660 0.00 0.00 +0.046 C ATOM 2 C LIG 1 3.120 -0.351 -0.625 0.00 0.00 -0.020 A ATOM 3 C LIG 1 1.811 -0.311 -0.146 0.00 0.00 +0.092 A ATOM 4 C LIG 1 1.531 0.674 0.827 0.00 0.00 +0.095 A ATOM 5 C LIG 1 0.236 0.731 1.315 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -0.742 -0.139 0.847 0.00 0.00 +0.149 A ATOM 7 C LIG 1 -0.371 -1.087 -0.091 0.00 0.00 +0.157 A ATOM 8 N LIG 1 2.441 1.548 1.296 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 3.690 1.487 0.819 0.00 0.00 +0.117 A ATOM 10 N LIG 1 0.878 -1.181 -0.601 0.00 0.00 -0.250 NA ATOM 11 C LIG 1 4.069 0.557 -0.136 0.00 0.00 +0.048 A ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 4.622 2.399 1.321 0.00 0.00 -0.343 N ATOM 13 H LIG 1 5.002 2.957 0.563 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 5.388 1.900 1.763 0.00 0.00 +0.144 HD ENDBRANCH 9 12 BRANCH 6 15 ATOM 15 O LIG 1 -1.996 -0.045 1.393 0.00 0.00 -0.452 OA BRANCH 15 16 ATOM 16 C LIG 1 -3.061 -0.146 0.529 0.00 0.00 +0.164 A ATOM 17 C LIG 1 -4.062 -1.071 0.822 0.00 0.00 +0.165 A ATOM 18 F LIG 1 -3.952 -1.870 1.893 0.00 0.00 -0.202 F ATOM 19 C LIG 1 -5.179 -1.192 0.001 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -5.306 -0.367 -1.117 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -4.317 0.578 -1.404 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -3.197 0.696 -0.578 0.00 0.00 +0.049 A ENDBRANCH 15 16 ENDBRANCH 6 15 TORSDOF 3