REMARK Name = BDB008747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.426 1.271 0.183 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.102 1.073 0.043 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.299 -0.151 -0.357 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.561 -1.202 -0.619 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.935 -0.995 -0.466 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.364 0.282 -0.079 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.875 -2.062 -0.767 0.00 0.00 +0.086 A ATOM 8 C LIG 1 -3.909 -2.563 0.030 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -4.798 -3.583 -0.408 0.00 0.00 +0.185 A ATOM 10 N LIG 1 -5.695 -3.883 0.529 0.00 0.00 -0.151 NA ATOM 11 N LIG 1 -5.385 -3.064 1.551 0.00 0.00 -0.269 N ATOM 12 C LIG 1 -6.205 -3.105 2.741 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -4.702 -4.156 -1.628 0.00 0.00 -0.211 NA ATOM 14 C LIG 1 -3.674 -3.645 -2.350 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -3.466 -4.246 -3.710 0.00 0.00 +0.088 C ATOM 16 C LIG 1 -4.269 -2.280 1.334 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -3.706 -1.391 2.384 0.00 0.00 +0.066 C ATOM 18 N LIG 1 -2.776 -2.671 -1.988 0.00 0.00 -0.232 NA ENDBRANCH 5 7 BRANCH 1 20 ATOM 19 C LIG 1 -2.969 3.050 1.000 0.00 0.00 +0.235 C ATOM 20 N LIG 1 -1.745 2.563 0.600 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -0.924 3.147 0.682 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 -3.984 2.368 1.148 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -2.950 4.560 1.368 0.00 0.00 +0.137 C ATOM 24 C LIG 1 -2.409 5.416 0.224 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 -4.376 5.955 2.764 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -4.330 4.997 1.670 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -4.877 4.166 1.923 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 3 28 ATOM 28 C LIG 1 1.711 -0.302 -0.492 0.00 0.00 -0.041 C ATOM 29 C LIG 1 2.901 -0.430 -0.605 0.00 0.00 -0.060 C BRANCH 29 30 ATOM 30 C LIG 1 4.317 -0.577 -0.739 0.00 0.00 +0.026 A ATOM 31 C LIG 1 5.109 0.529 -1.048 0.00 0.00 +0.026 A ATOM 32 C LIG 1 6.497 0.387 -1.181 0.00 0.00 -0.000 A ATOM 33 C LIG 1 7.316 1.551 -1.504 0.00 0.00 +0.015 A ATOM 34 C LIG 1 8.639 1.420 -1.630 0.00 0.00 +0.071 A ATOM 35 C LIG 1 9.321 0.116 -1.452 0.00 0.00 +0.252 A ATOM 36 N LIG 1 8.524 -0.982 -1.147 0.00 0.00 -0.311 N ATOM 37 C LIG 1 9.171 -2.272 -0.973 0.00 0.00 +0.152 C ATOM 38 O LIG 1 10.543 0.079 -1.583 0.00 0.00 -0.268 OA ATOM 39 C LIG 1 7.106 -0.869 -1.005 0.00 0.00 +0.052 A ATOM 40 C LIG 1 6.295 -1.972 -0.695 0.00 0.00 +0.027 A ATOM 41 C LIG 1 4.910 -1.826 -0.563 0.00 0.00 +0.019 A ENDBRANCH 29 30 ENDBRANCH 3 28 TORSDOF 6