REMARK Name = BDB008764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.384 -1.133 -0.675 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.248 -1.638 -0.156 0.00 0.00 -0.223 NA ATOM 3 C LIG 1 -0.762 -0.788 0.146 0.00 0.00 +0.124 A ATOM 4 C LIG 1 -0.727 0.592 -0.064 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.460 1.103 -0.624 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.519 0.219 -0.922 0.00 0.00 +0.053 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.865 1.451 0.277 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -1.946 2.153 1.467 0.00 0.00 +0.122 A ATOM 9 N LIG 1 -2.983 2.946 1.811 0.00 0.00 -0.243 NA ATOM 10 C LIG 1 -3.979 3.024 0.915 0.00 0.00 +0.221 A ATOM 11 N LIG 1 -4.029 2.383 -0.262 0.00 0.00 -0.243 NA ATOM 12 C LIG 1 -2.961 1.612 -0.554 0.00 0.00 +0.122 A ENDBRANCH 4 7 BRANCH 5 13 ATOM 13 C LIG 1 0.639 2.528 -0.932 0.00 0.00 +0.001 A ATOM 14 C LIG 1 0.326 3.042 -2.194 0.00 0.00 +0.119 A ATOM 15 N LIG 1 0.481 4.339 -2.554 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 0.963 5.176 -1.608 0.00 0.00 +0.111 A ATOM 17 C LIG 1 1.310 4.773 -0.327 0.00 0.00 +0.020 A ATOM 18 C LIG 1 1.152 3.429 0.011 0.00 0.00 +0.011 A ENDBRANCH 5 13 BRANCH 1 20 ATOM 19 C LIG 1 3.600 -2.182 -1.404 0.00 0.00 +0.235 C ATOM 20 N LIG 1 2.321 -2.126 -0.950 0.00 0.00 -0.269 N ATOM 21 H LIG 1 1.948 -3.048 -0.753 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 4.076 -3.315 -1.575 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 4.454 -0.927 -1.670 0.00 0.00 +0.137 C ATOM 24 C LIG 1 5.789 -1.283 -2.340 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 5.340 -0.838 0.632 0.00 0.00 +0.101 C ATOM 26 N LIG 1 4.645 -0.119 -0.438 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 5.198 0.708 -0.673 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 -1.897 -1.450 0.717 0.00 0.00 -0.040 C ATOM 29 C LIG 1 -2.856 -1.981 1.210 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 -4.001 -2.586 1.820 0.00 0.00 +0.025 A ATOM 31 C LIG 1 -3.868 -3.785 2.522 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -4.982 -4.366 3.132 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.229 -3.748 3.037 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.364 -2.550 2.335 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.252 -1.969 1.722 0.00 0.00 +0.017 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 7