REMARK Name = BDB010381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.773 -0.636 0.654 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.478 -1.143 0.647 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.079 -2.042 1.621 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.215 -2.430 1.451 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.635 -1.799 0.381 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.868 -2.478 2.615 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.090 -1.926 2.563 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.663 -0.938 -0.097 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.570 -1.052 1.657 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.868 -1.856 -0.179 0.00 0.00 -0.290 N ATOM 11 C LIG 1 -3.065 -2.599 -1.444 0.00 0.00 +0.102 C ATOM 12 C LIG 1 -2.902 -4.122 -1.195 0.00 0.00 +0.182 C ATOM 13 O LIG 1 -3.894 -4.622 -0.279 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -3.917 -3.838 0.932 0.00 0.00 +0.182 C ATOM 15 C LIG 1 -4.539 -2.258 -1.739 0.00 0.00 +0.027 C ATOM 16 C LIG 1 -5.170 -2.051 -0.349 0.00 0.00 +0.027 C ATOM 17 C LIG 1 -4.015 -2.316 0.638 0.00 0.00 +0.102 C ENDBRANCH 5 10 BRANCH 7 18 ATOM 18 C LIG 1 3.016 -2.351 3.637 0.00 0.00 +0.220 A ATOM 19 N LIG 1 2.584 -3.212 4.573 0.00 0.00 -0.269 N ATOM 20 H LIG 1 1.669 -3.626 4.643 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 3.608 -3.424 5.409 0.00 0.00 +0.440 A ATOM 22 O LIG 1 3.597 -4.152 6.389 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 4.681 -2.683 4.979 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 4.247 -1.987 3.803 0.00 0.00 -0.051 NA ENDBRANCH 7 18 BRANCH 1 25 ATOM 25 N LIG 1 2.238 0.252 -0.315 0.00 0.00 -0.324 N ATOM 26 H LIG 1 2.010 -0.100 -1.238 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 3.739 1.825 0.822 0.00 0.00 +0.028 C ATOM 28 C LIG 1 3.635 0.695 -0.207 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 4.095 1.233 -1.569 0.00 0.00 +0.009 C ATOM 30 C LIG 1 5.612 1.526 -1.740 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.475 1.018 -3.189 0.00 0.00 +0.001 C ATOM 32 C LIG 1 4.272 0.185 -2.705 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.853 0.090 -1.105 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -0.968 1.516 -0.531 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -2.280 1.713 0.245 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.432 3.148 0.749 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.319 4.166 -0.391 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.425 5.592 0.147 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.008 3.974 -1.161 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.859 2.542 -1.669 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 7