REMARK Name = BDB054689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.965 0.475 -0.133 0.00 0.00 +0.221 A ATOM 2 N LIG 1 0.193 -0.020 -0.600 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 1.127 -0.236 0.340 0.00 0.00 +0.147 A ATOM 4 C LIG 1 0.967 0.016 1.689 0.00 0.00 +0.038 A ATOM 5 C LIG 1 2.197 -0.267 2.316 0.00 0.00 +0.039 A ATOM 6 C LIG 1 3.099 -0.645 1.338 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -0.276 0.487 2.089 0.00 0.00 +0.126 A ATOM 8 N LIG 1 2.398 -0.744 0.144 0.00 0.00 -0.322 N ATOM 9 N LIG 1 -1.233 0.710 1.167 0.00 0.00 -0.222 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 4.617 -0.883 1.639 0.00 0.00 +0.036 A ATOM 11 C LIG 1 5.638 -1.145 0.758 0.00 0.00 +0.118 A ATOM 12 N LIG 1 6.781 -1.246 1.507 0.00 0.00 -0.266 N ATOM 13 N LIG 1 6.565 -1.074 2.826 0.00 0.00 -0.179 NA ATOM 14 C LIG 1 5.252 -0.836 2.898 0.00 0.00 +0.144 A BRANCH 12 15 ATOM 15 C LIG 1 8.120 -1.582 1.030 0.00 0.00 +0.178 C BRANCH 15 16 ATOM 16 C LIG 1 8.588 -0.661 -0.069 0.00 0.00 -0.026 A ATOM 17 C LIG 1 8.749 -1.134 -1.379 0.00 0.00 +0.005 A ATOM 18 C LIG 1 9.178 -0.275 -2.394 0.00 0.00 +0.000 A ATOM 19 C LIG 1 9.452 1.061 -2.109 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.300 1.542 -0.810 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.871 0.686 0.206 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 6 10 BRANCH 8 22 ATOM 22 C LIG 1 2.917 -1.315 -1.087 0.00 0.00 +0.089 C ATOM 23 C LIG 1 2.049 -1.306 -2.354 0.00 0.00 +0.025 C ATOM 24 C LIG 1 2.793 -2.244 -3.301 0.00 0.00 +0.002 C ATOM 25 C LIG 1 3.414 -3.308 -2.397 0.00 0.00 +0.002 C ATOM 26 C LIG 1 3.207 -2.820 -0.966 0.00 0.00 +0.025 C ENDBRANCH 8 22 BRANCH 1 27 ATOM 27 N LIG 1 -1.905 0.776 -1.124 0.00 0.00 -0.282 N ATOM 28 H LIG 1 -1.463 0.595 -2.016 0.00 0.00 +0.155 HD BRANCH 27 33 ATOM 29 C LIG 1 -5.112 2.195 -0.378 0.00 0.00 +0.106 A ATOM 30 N LIG 1 -5.012 2.291 -1.750 0.00 0.00 -0.344 N ATOM 31 C LIG 1 -6.009 2.874 -2.621 0.00 0.00 +0.149 C ATOM 32 C LIG 1 -3.835 1.731 -2.178 0.00 0.00 +0.109 A ATOM 33 C LIG 1 -3.127 1.335 -1.066 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.922 1.628 0.061 0.00 0.00 +0.055 A BRANCH 29 40 ATOM 35 C LIG 1 -9.452 -0.835 3.392 0.00 0.00 +0.105 C ATOM 36 N LIG 1 -8.868 0.156 2.498 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 -7.833 -0.414 1.613 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -6.525 0.402 1.483 0.00 0.00 +0.123 C ATOM 39 N LIG 1 -6.772 1.842 1.372 0.00 0.00 -0.294 N ATOM 40 C LIG 1 -6.236 2.682 0.398 0.00 0.00 +0.263 C ATOM 41 O LIG 1 -6.717 3.797 0.187 0.00 0.00 -0.268 OA ATOM 42 C LIG 1 -7.831 2.381 2.225 0.00 0.00 +0.123 C ATOM 43 C LIG 1 -8.397 1.349 3.214 0.00 0.00 +0.103 C ENDBRANCH 29 40 ENDBRANCH 27 33 ENDBRANCH 1 27 TORSDOF 7