REMARK Name = BDB064602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.593 0.188 1.603 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.321 -0.343 1.473 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.265 0.085 0.760 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -2.490 -0.378 2.223 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.133 1.177 -0.114 0.00 0.00 +0.236 C ATOM 6 N LIG 1 -3.208 1.851 0.656 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.791 1.522 0.863 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.235 2.663 1.726 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.253 3.783 1.558 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.578 3.039 1.409 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -5.308 1.562 -0.181 0.00 0.00 -0.274 OA BRANCH 5 12 ATOM 12 C LIG 1 -3.679 -0.045 -0.946 0.00 0.00 +0.156 C ATOM 13 C LIG 1 -3.065 0.403 -2.266 0.00 0.00 +0.038 C BRANCH 12 16 ATOM 14 C LIG 1 -6.134 -2.898 -1.524 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -4.796 -2.238 -1.325 0.00 0.00 +0.211 C ATOM 16 N LIG 1 -4.857 -0.875 -1.194 0.00 0.00 -0.304 N ATOM 17 H LIG 1 -5.753 -0.400 -1.132 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 -3.754 -2.888 -1.280 0.00 0.00 -0.276 OA ENDBRANCH 12 16 ENDBRANCH 5 12 BRANCH 9 19 ATOM 19 O LIG 1 -1.939 4.521 0.376 0.00 0.00 -0.390 OA ATOM 20 H LIG 1 -2.360 4.074 -0.381 0.00 0.00 +0.210 HD ENDBRANCH 9 19 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 -0.202 -1.803 1.484 0.00 0.00 +0.163 C BRANCH 21 22 ATOM 22 C LIG 1 -0.603 -2.253 0.065 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -0.435 -1.547 -0.929 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 -1.167 -3.491 -0.042 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -1.647 -3.617 -0.933 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -1.732 -3.820 0.731 0.00 0.00 +0.145 HD ENDBRANCH 21 22 BRANCH 21 27 ATOM 27 C LIG 1 1.193 -2.311 1.872 0.00 0.00 +0.067 C BRANCH 27 28 ATOM 28 C LIG 1 2.347 -1.633 1.168 0.00 0.00 -0.045 A ATOM 29 C LIG 1 2.766 -2.057 -0.097 0.00 0.00 +0.004 A ATOM 30 C LIG 1 3.819 -1.409 -0.750 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.482 -0.322 -0.160 0.00 0.00 -0.018 A ATOM 32 C LIG 1 4.056 0.095 1.110 0.00 0.00 +0.009 A ATOM 33 C LIG 1 3.003 -0.550 1.766 0.00 0.00 +0.004 A BRANCH 31 34 ATOM 34 C LIG 1 5.591 0.358 -0.850 0.00 0.00 -0.018 A ATOM 35 C LIG 1 5.574 1.748 -1.054 0.00 0.00 +0.008 A ATOM 36 C LIG 1 6.626 2.393 -1.709 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.715 1.659 -2.170 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.753 0.280 -1.978 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.699 -0.364 -1.324 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 2 21 TORSDOF 9