REMARK Name = BDB052608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.877 -1.258 0.162 0.00 0.00 -0.328 N ATOM 2 H LIG 1 -2.246 -0.384 0.522 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.636 -1.773 -0.888 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -3.960 -1.372 -1.137 0.00 0.00 +0.088 A ATOM 5 C LIG 1 -4.618 -2.018 -2.171 0.00 0.00 +0.233 A ATOM 6 O LIG 1 -5.893 -1.560 -2.274 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 -6.079 -0.600 -1.316 0.00 0.00 +0.146 A ATOM 8 N LIG 1 -4.131 -2.967 -2.979 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -2.864 -3.259 -2.672 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -4.902 -0.440 -0.597 0.00 0.00 +0.041 A ATOM 11 N LIG 1 -2.108 -2.726 -1.695 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 -7.417 -0.007 -1.303 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -8.530 -0.764 -1.705 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -9.817 -0.218 -1.694 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -10.011 1.097 -1.282 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.920 1.865 -0.886 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.633 1.318 -0.899 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 -4.725 0.490 0.498 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -3.964 1.650 0.311 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -3.771 2.538 1.370 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.336 2.269 2.616 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.095 1.113 2.806 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.289 0.223 1.750 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -0.430 -1.294 -0.015 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 0.255 -0.717 1.230 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 4.565 -0.688 0.813 0.00 0.00 +0.035 A ATOM 27 C LIG 1 3.810 0.428 0.450 0.00 0.00 +0.023 A ATOM 28 C LIG 1 2.417 0.420 0.591 0.00 0.00 +0.005 A ATOM 29 C LIG 1 1.757 -0.705 1.097 0.00 0.00 -0.046 A ATOM 30 C LIG 1 2.512 -1.828 1.448 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.903 -1.818 1.307 0.00 0.00 +0.023 A BRANCH 26 34 ATOM 32 O LIG 1 6.536 1.444 0.265 0.00 0.00 -0.252 OA ATOM 33 C LIG 1 6.848 0.267 0.383 0.00 0.00 +0.308 C ATOM 34 N LIG 1 5.968 -0.763 0.691 0.00 0.00 -0.269 N ATOM 35 H LIG 1 6.391 -1.621 1.008 0.00 0.00 +0.156 HD ATOM 36 N LIG 1 8.132 -0.238 0.229 0.00 0.00 -0.269 N ATOM 37 H LIG 1 8.198 -1.235 0.098 0.00 0.00 +0.156 HD BRANCH 36 38 ATOM 38 C LIG 1 9.323 0.489 0.025 0.00 0.00 +0.035 A ATOM 39 C LIG 1 9.418 1.878 0.133 0.00 0.00 +0.023 A ATOM 40 C LIG 1 10.641 2.523 -0.073 0.00 0.00 +0.002 A ATOM 41 C LIG 1 11.781 1.786 -0.384 0.00 0.00 +0.000 A ATOM 42 C LIG 1 11.700 0.401 -0.487 0.00 0.00 +0.002 A ATOM 43 C LIG 1 10.477 -0.245 -0.281 0.00 0.00 +0.023 A ENDBRANCH 36 38 ENDBRANCH 26 34 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8