REMARK Name = BDB013113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.149 -0.411 0.396 0.00 0.00 +0.049 A ATOM 2 C LIG 1 1.180 -1.345 -0.068 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -0.138 -0.962 -0.027 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -0.848 -2.046 -0.452 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -0.024 -3.009 -0.798 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -0.554 0.298 0.408 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.330 1.156 0.838 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 1.258 -2.567 -0.554 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.660 0.779 0.816 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.339 -1.189 0.329 0.00 0.00 +0.121 A ATOM 11 N LIG 1 5.568 -1.585 -0.697 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 4.236 -1.328 -0.635 0.00 0.00 +0.124 A ATOM 13 C LIG 1 3.608 -0.661 0.408 0.00 0.00 +0.041 A ATOM 14 C LIG 1 4.445 -0.289 1.459 0.00 0.00 +0.136 A ATOM 15 F LIG 1 3.944 0.326 2.542 0.00 0.00 -0.205 F ATOM 16 C LIG 1 5.810 -0.546 1.433 0.00 0.00 +0.082 A BRANCH 10 18 ATOM 17 C LIG 1 8.592 -0.371 0.324 0.00 0.00 +0.127 C ATOM 18 N LIG 1 7.691 -1.506 0.222 0.00 0.00 -0.332 N ATOM 19 H LIG 1 7.769 -1.968 -0.685 0.00 0.00 +0.147 HD ENDBRANCH 10 18 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N LIG 1 -1.888 0.642 0.407 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -1.984 1.489 0.970 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.559 0.883 -0.867 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.940 1.423 -0.610 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -4.981 0.611 -0.171 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -5.019 -0.852 0.069 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -6.356 -0.949 0.804 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -7.167 0.197 0.460 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -6.249 1.130 0.053 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -6.542 2.463 -0.141 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -5.510 3.303 -0.559 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.221 2.790 -0.787 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 5