REMARK Name = BDB039358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.580 4.902 -0.133 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -1.573 3.865 -0.277 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.287 2.558 -0.580 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.491 1.862 -0.641 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.440 0.486 -0.940 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.157 -0.053 -1.158 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.012 0.746 -1.075 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.521 2.804 -0.356 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.049 2.068 -0.778 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -2.927 4.029 -0.137 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.346 0.197 -1.296 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.437 0.679 -0.540 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.704 0.160 -0.755 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.994 0.486 -0.082 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.950 -0.339 -0.812 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.324 -1.182 -1.719 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.828 -2.052 -2.403 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.900 -0.830 -1.712 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.873 -1.335 -2.480 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.593 -0.811 -2.268 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 7.323 -0.556 -0.376 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.401 -1.368 0.928 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.453 -1.962 1.437 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.638 -1.391 1.532 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.675 -1.912 2.398 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.613 -0.435 1.398 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.506 -0.321 2.231 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 9.535 0.441 0.170 0.00 0.00 +0.098 C ATOM 29 C LIG 1 8.090 0.750 -0.194 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.660 -0.403 -1.040 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -3.629 -1.553 -0.121 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -3.643 -1.168 1.295 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -4.982 -0.611 1.790 0.00 0.00 +0.022 C ATOM 34 C LIG 1 -6.170 -1.428 1.258 0.00 0.00 -0.027 C ATOM 35 C LIG 1 -7.168 -0.622 0.358 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -8.324 -1.306 1.109 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -7.349 -1.545 2.275 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -5.715 -2.769 0.670 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -4.688 -2.526 -0.444 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4