REMARK Name = BDB064595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.204 0.331 -2.006 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.052 0.888 -0.753 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.898 1.077 -0.221 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.265 -0.065 -2.689 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.534 -1.156 -0.886 0.00 0.00 +0.240 C ATOM 6 N LIG 1 3.723 0.042 -1.606 0.00 0.00 -0.286 N ATOM 7 C LIG 1 2.645 0.436 -2.524 0.00 0.00 +0.164 C ATOM 8 C LIG 1 2.978 -0.289 -3.816 0.00 0.00 +0.065 C ATOM 9 C LIG 1 4.497 -0.101 -3.876 0.00 0.00 +0.134 C ATOM 10 C LIG 1 4.948 0.078 -2.403 0.00 0.00 +0.140 C ATOM 11 O LIG 1 2.622 -1.945 -1.102 0.00 0.00 -0.273 OA BRANCH 5 12 ATOM 12 C LIG 1 4.523 -1.399 0.248 0.00 0.00 +0.111 C ATOM 13 C LIG 1 4.596 -2.801 0.845 0.00 0.00 +0.038 C ATOM 14 C LIG 1 5.708 -2.317 -0.023 0.00 0.00 +0.038 C BRANCH 12 17 ATOM 15 C LIG 1 4.122 1.294 2.869 0.00 0.00 +0.109 C ATOM 16 C LIG 1 3.837 -0.007 2.171 0.00 0.00 +0.211 C ATOM 17 N LIG 1 4.722 -0.272 1.141 0.00 0.00 -0.302 N ATOM 18 H LIG 1 5.278 0.498 0.791 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 2.925 -0.755 2.509 0.00 0.00 -0.276 OA ENDBRANCH 12 17 ENDBRANCH 5 12 BRANCH 9 20 ATOM 20 O LIG 1 4.803 1.082 -4.612 0.00 0.00 -0.390 OA ATOM 21 H LIG 1 4.502 0.944 -5.528 0.00 0.00 +0.210 HD ENDBRANCH 9 20 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 -0.164 0.714 0.035 0.00 0.00 +0.163 C BRANCH 22 23 ATOM 23 C LIG 1 0.208 1.115 1.475 0.00 0.00 +0.231 C ATOM 24 O LIG 1 1.167 1.841 1.741 0.00 0.00 -0.274 OA ATOM 25 N LIG 1 -0.606 0.652 2.466 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -1.230 -0.129 2.302 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 -0.280 0.790 3.414 0.00 0.00 +0.145 HD ENDBRANCH 22 23 BRANCH 22 28 ATOM 28 C LIG 1 -1.327 1.578 -0.478 0.00 0.00 +0.067 C BRANCH 28 29 ATOM 29 C LIG 1 -2.681 1.049 -0.061 0.00 0.00 -0.045 A ATOM 30 C LIG 1 -3.206 -0.095 -0.673 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.447 -0.603 -0.279 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -5.196 0.016 0.734 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -4.661 1.165 1.337 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.420 1.678 0.945 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -6.503 -0.522 1.150 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -6.646 -1.869 1.523 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -7.885 -2.380 1.919 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.004 -1.552 1.948 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.885 -0.214 1.580 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.645 0.295 1.185 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 2 22 TORSDOF 9