REMARK Name = BDB014397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.242 -0.219 0.351 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -3.940 0.296 0.191 0.00 0.00 +0.103 A ATOM 3 C LIG 1 -3.791 1.662 -0.050 0.00 0.00 +0.071 A ATOM 4 N LIG 1 -2.435 1.840 -0.162 0.00 0.00 -0.326 N ATOM 5 H LIG 1 -1.962 2.701 -0.379 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -1.817 0.628 0.011 0.00 0.00 +0.197 A ATOM 7 C LIG 1 -4.864 2.550 -0.146 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -6.138 2.005 0.017 0.00 0.00 +0.126 A ATOM 9 F LIG 1 -7.202 2.816 -0.063 0.00 0.00 -0.205 F ATOM 10 N LIG 1 -2.709 -0.318 0.187 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -6.341 0.652 0.262 0.00 0.00 +0.053 A ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -0.465 0.506 -0.081 0.00 0.00 -0.298 N ATOM 13 C LIG 1 0.026 -0.894 0.041 0.00 0.00 +0.127 C ATOM 14 C LIG 1 1.509 -1.008 -0.369 0.00 0.00 +0.127 C ATOM 15 N LIG 1 2.346 -0.037 0.359 0.00 0.00 -0.297 N ATOM 16 C LIG 1 1.857 1.349 0.302 0.00 0.00 +0.127 C ATOM 17 C LIG 1 0.370 1.439 0.711 0.00 0.00 +0.127 C BRANCH 15 18 ATOM 18 C LIG 1 3.711 -0.165 0.101 0.00 0.00 +0.218 A ATOM 19 N LIG 1 4.517 0.892 0.308 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.840 0.736 0.092 0.00 0.00 +0.128 A ATOM 21 C LIG 1 6.408 -0.441 -0.323 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.518 -1.464 -0.522 0.00 0.00 +0.128 A ATOM 23 N LIG 1 4.190 -1.349 -0.317 0.00 0.00 -0.222 NA BRANCH 21 24 ATOM 24 C LIG 1 7.861 -0.582 -0.578 0.00 0.00 +0.420 C ATOM 25 F LIG 1 8.319 -1.849 -0.382 0.00 0.00 -0.166 F ATOM 26 F LIG 1 8.197 -0.257 -1.855 0.00 0.00 -0.166 F ATOM 27 F LIG 1 8.622 0.216 0.221 0.00 0.00 -0.166 F ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 1 31 ATOM 28 N LIG 1 -6.462 -2.257 -0.071 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -6.512 -3.263 0.024 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -6.835 -1.849 -0.917 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 -5.453 -1.651 0.631 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -4.792 -2.275 1.448 0.00 0.00 -0.270 OA ENDBRANCH 1 31 TORSDOF 4