REMARK Name = BDB014396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.658 -1.082 -2.199 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -3.581 -0.313 -1.710 0.00 0.00 +0.103 A ATOM 3 C LIG 1 -3.353 0.949 -2.252 0.00 0.00 +0.071 A ATOM 4 N LIG 1 -2.260 1.418 -1.569 0.00 0.00 -0.326 N ATOM 5 H LIG 1 -1.824 2.315 -1.706 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -1.853 0.463 -0.670 0.00 0.00 +0.197 A ATOM 7 C LIG 1 -4.138 1.505 -3.263 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -5.195 0.722 -3.729 0.00 0.00 +0.126 A ATOM 9 F LIG 1 -5.978 1.210 -4.701 0.00 0.00 -0.205 F ATOM 10 N LIG 1 -2.643 -0.585 -0.734 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -5.462 -0.544 -3.219 0.00 0.00 +0.053 A ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -0.783 0.642 0.142 0.00 0.00 -0.298 N ATOM 13 C LIG 1 -0.320 -0.498 0.952 0.00 0.00 +0.127 C ATOM 14 C LIG 1 1.208 -0.700 0.833 0.00 0.00 +0.124 C ATOM 15 N LIG 1 1.963 0.522 1.183 0.00 0.00 -0.325 N ATOM 16 C LIG 1 1.220 1.792 1.125 0.00 0.00 +0.124 C ATOM 17 C LIG 1 0.143 1.773 0.013 0.00 0.00 +0.127 C BRANCH 15 18 ATOM 18 C LIG 1 3.275 0.455 1.605 0.00 0.00 +0.067 A ATOM 19 C LIG 1 3.940 1.473 2.272 0.00 0.00 +0.137 A ATOM 20 N LIG 1 5.231 1.446 2.689 0.00 0.00 -0.231 NA ATOM 21 C LIG 1 5.936 0.321 2.430 0.00 0.00 +0.234 A ATOM 22 N LIG 1 5.396 -0.748 1.800 0.00 0.00 -0.231 NA ATOM 23 C LIG 1 4.102 -0.643 1.410 0.00 0.00 +0.137 A BRANCH 21 24 ATOM 24 C LIG 1 7.394 0.245 2.903 0.00 0.00 +0.452 C ATOM 25 F LIG 1 8.101 1.392 2.664 0.00 0.00 -0.163 F ATOM 26 F LIG 1 8.119 -0.751 2.305 0.00 0.00 -0.163 F ATOM 27 F LIG 1 7.509 0.018 4.247 0.00 0.00 -0.163 F ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 1 31 ATOM 28 N LIG 1 -4.191 -2.900 -0.652 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -4.377 -3.819 -0.278 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -3.422 -2.348 -0.278 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 -4.967 -2.430 -1.671 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -5.885 -3.100 -2.129 0.00 0.00 -0.270 OA ENDBRANCH 1 31 TORSDOF 4