REMARK Name = BDB032110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.670 0.651 1.496 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.794 -0.117 1.783 0.00 0.00 +0.136 A ATOM 3 N LIG 1 -2.954 0.368 2.290 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 -3.033 1.690 2.515 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -1.950 2.533 2.295 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -0.761 2.009 1.776 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.669 0.607 0.601 0.00 0.00 +0.220 C ATOM 8 N LIG 1 0.461 0.018 0.940 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.373 -0.976 0.764 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.968 1.783 0.772 0.00 0.00 -0.275 OA BRANCH 7 13 ATOM 11 C LIG 1 5.043 -0.825 -0.737 0.00 0.00 +0.074 C ATOM 12 C LIG 1 4.046 0.195 -0.163 0.00 0.00 +0.035 C ATOM 13 C LIG 1 2.634 -0.389 -0.050 0.00 0.00 +0.077 C ATOM 14 C LIG 1 2.098 -0.824 -1.426 0.00 0.00 +0.013 C ATOM 15 C LIG 1 3.196 -1.119 -2.450 0.00 0.00 +0.003 C ATOM 16 C LIG 1 4.414 -1.752 -1.789 0.00 0.00 +0.022 C BRANCH 11 18 ATOM 17 C LIG 1 7.242 0.272 -0.493 0.00 0.00 +0.237 C ATOM 18 N LIG 1 6.197 -0.128 -1.292 0.00 0.00 -0.309 N ATOM 19 H LIG 1 6.107 0.272 -2.216 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 7.358 -0.016 0.691 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 9.287 1.623 -0.574 0.00 0.00 +0.013 C ATOM 22 C LIG 1 8.231 1.110 -1.218 0.00 0.00 +0.059 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 -4.196 2.267 3.031 0.00 0.00 -0.265 N ATOM 24 H LIG 1 -4.116 3.193 3.424 0.00 0.00 +0.157 HD ATOM 25 C LIG 1 -5.435 1.703 3.237 0.00 0.00 +0.268 C ATOM 26 O LIG 1 -6.217 2.258 4.015 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.892 0.489 2.499 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -5.488 0.347 1.212 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 -5.907 -0.756 0.555 0.00 0.00 +0.089 A ATOM 30 C LIG 1 -6.790 -1.679 1.099 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -7.243 -1.478 2.401 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.785 -0.378 3.119 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -5.292 -0.918 -0.749 0.00 0.00 +0.084 A ATOM 34 N LIG 1 -4.234 -0.132 -1.132 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -3.817 0.613 -0.582 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -3.725 -0.444 -2.338 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -4.514 -1.435 -2.757 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -5.499 -1.776 -1.810 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 7