REMARK Name = BDB063450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.107 -1.262 -0.005 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.592 -0.886 -0.630 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -2.604 -2.541 1.895 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -1.884 -1.917 0.942 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -0.546 -1.930 1.028 0.00 0.00 +0.221 A ATOM 6 N LIG 1 0.120 -2.528 2.023 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.612 -3.132 2.972 0.00 0.00 +0.118 A ATOM 8 C LIG 1 -1.982 -3.169 2.957 0.00 0.00 +0.064 A BRANCH 3 10 ATOM 9 C LIG 1 -4.548 -3.883 1.587 0.00 0.00 +0.137 C ATOM 10 N LIG 1 -4.028 -2.531 1.826 0.00 0.00 -0.288 N BRANCH 10 11 ATOM 11 C LIG 1 -4.771 -1.450 1.283 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.969 -1.601 0.580 0.00 0.00 +0.063 A ATOM 13 C LIG 1 -6.674 -0.493 0.088 0.00 0.00 +0.146 A ATOM 14 F LIG 1 -7.822 -0.755 -0.561 0.00 0.00 -0.203 F ATOM 15 C LIG 1 -6.247 0.834 0.275 0.00 0.00 +0.066 A ATOM 16 C LIG 1 -5.051 0.977 0.989 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -4.338 -0.130 1.482 0.00 0.00 +0.025 A BRANCH 15 18 ATOM 18 N LIG 1 -6.928 1.939 -0.212 0.00 0.00 -0.323 N ATOM 19 C LIG 1 -7.975 1.815 -1.239 0.00 0.00 +0.133 C ATOM 20 C LIG 1 -8.184 3.169 -1.938 0.00 0.00 +0.178 C ATOM 21 O LIG 1 -8.570 4.234 -1.057 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -8.116 4.046 0.290 0.00 0.00 +0.178 C ATOM 23 C LIG 1 -6.793 3.269 0.404 0.00 0.00 +0.133 C ENDBRANCH 15 18 ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 1.446 -1.020 -0.319 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.523 -1.485 0.443 0.00 0.00 +0.024 A ATOM 26 C LIG 1 3.849 -1.209 0.082 0.00 0.00 +0.015 A ATOM 27 C LIG 1 4.122 -0.446 -1.056 0.00 0.00 +0.037 A ATOM 28 C LIG 1 3.060 0.012 -1.839 0.00 0.00 +0.015 A ATOM 29 C LIG 1 1.740 -0.270 -1.469 0.00 0.00 +0.024 A BRANCH 27 30 ATOM 30 C LIG 1 5.512 -0.123 -1.486 0.00 0.00 +0.250 C ATOM 31 N LIG 1 6.449 -0.037 -0.479 0.00 0.00 -0.252 N ATOM 32 H LIG 1 6.206 -0.116 0.498 0.00 0.00 +0.158 HD ATOM 33 O LIG 1 5.748 0.070 -2.678 0.00 0.00 -0.270 OA BRANCH 31 34 ATOM 34 C LIG 1 7.767 0.243 -0.724 0.00 0.00 +0.201 A ATOM 35 N LIG 1 8.294 0.434 -1.975 0.00 0.00 -0.326 N ATOM 36 H LIG 1 7.751 0.393 -2.829 0.00 0.00 +0.169 HD ATOM 37 C LIG 1 9.632 0.691 -1.844 0.00 0.00 +0.067 A ATOM 38 C LIG 1 9.850 0.639 -0.470 0.00 0.00 +0.091 A ATOM 39 C LIG 1 11.144 0.862 0.024 0.00 0.00 +0.030 A ATOM 40 C LIG 1 12.174 1.131 -0.886 0.00 0.00 +0.002 A ATOM 41 C LIG 1 11.923 1.177 -2.260 0.00 0.00 +0.002 A ATOM 42 C LIG 1 10.639 0.957 -2.773 0.00 0.00 +0.028 A ATOM 43 N LIG 1 8.685 0.361 0.206 0.00 0.00 -0.214 NA ENDBRANCH 31 34 ENDBRANCH 27 30 ENDBRANCH 1 24 TORSDOF 7