REMARK Name = BDB064730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.667 0.478 0.106 0.00 0.00 +0.048 A ATOM 2 C LIG 1 -2.107 -0.200 -1.048 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -3.327 -0.374 -1.739 0.00 0.00 +0.143 A ATOM 4 N LIG 1 -3.207 -1.141 -2.822 0.00 0.00 -0.178 NA ATOM 5 N LIG 1 -1.893 -1.448 -2.855 0.00 0.00 -0.261 N ATOM 6 C LIG 1 -1.174 -0.900 -1.815 0.00 0.00 +0.070 A ATOM 7 C LIG 1 0.191 -0.939 -1.479 0.00 0.00 +0.036 A ATOM 8 C LIG 1 0.635 -0.237 -0.341 0.00 0.00 -0.015 A ATOM 9 C LIG 1 -0.299 0.466 0.432 0.00 0.00 +0.022 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 2.060 -0.241 0.028 0.00 0.00 -0.018 A ATOM 11 C LIG 1 2.772 0.958 0.175 0.00 0.00 +0.009 A ATOM 12 C LIG 1 4.127 0.953 0.522 0.00 0.00 +0.012 A ATOM 13 C LIG 1 4.812 -0.249 0.742 0.00 0.00 +0.017 A ATOM 14 C LIG 1 4.107 -1.450 0.592 0.00 0.00 +0.012 A ATOM 15 C LIG 1 2.751 -1.444 0.240 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 6.231 -0.211 1.109 0.00 0.00 +0.139 A ATOM 17 N LIG 1 6.899 -1.242 1.728 0.00 0.00 -0.338 N ATOM 18 H LIG 1 6.490 -2.120 2.009 0.00 0.00 +0.167 HD ATOM 19 C LIG 1 8.204 -0.872 1.934 0.00 0.00 +0.067 A ATOM 20 C LIG 1 8.283 0.419 1.422 0.00 0.00 +0.102 A ATOM 21 C LIG 1 9.514 1.101 1.478 0.00 0.00 +0.064 A ATOM 22 C LIG 1 10.617 0.444 2.056 0.00 0.00 +0.015 A ATOM 23 C LIG 1 10.500 -0.852 2.563 0.00 0.00 +0.003 A ATOM 24 C LIG 1 9.284 -1.541 2.513 0.00 0.00 +0.028 A ATOM 25 N LIG 1 7.052 0.808 0.925 0.00 0.00 -0.227 NA BRANCH 21 26 ATOM 26 C LIG 1 9.681 2.475 0.951 0.00 0.00 +0.244 C ATOM 27 O LIG 1 10.758 3.058 1.010 0.00 0.00 -0.270 OA ATOM 28 N LIG 1 8.588 3.071 0.392 0.00 0.00 -0.325 N ATOM 29 H LIG 1 7.695 2.585 0.337 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 8.673 4.005 0.020 0.00 0.00 +0.145 HD ENDBRANCH 21 26 ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 33 ATOM 31 N LIG 1 -3.828 0.658 1.184 0.00 0.00 -0.307 N ATOM 32 H LIG 1 -3.937 -0.328 0.975 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -2.595 1.232 0.978 0.00 0.00 +0.245 C ATOM 34 O LIG 1 -2.230 2.279 1.498 0.00 0.00 -0.270 OA BRANCH 31 35 ATOM 35 C LIG 1 -4.766 1.210 2.136 0.00 0.00 +0.145 C BRANCH 35 42 ATOM 36 C LIG 1 -10.190 -0.059 0.470 0.00 0.00 +0.063 C ATOM 37 C LIG 1 -8.800 0.352 0.846 0.00 0.00 +0.016 A ATOM 38 N LIG 1 -8.029 -0.573 1.503 0.00 0.00 -0.326 N ATOM 39 H LIG 1 -8.401 -1.493 1.705 0.00 0.00 +0.169 HD ATOM 40 C LIG 1 -6.735 -0.362 1.905 0.00 0.00 +0.254 A ATOM 41 O LIG 1 -6.083 -1.245 2.454 0.00 0.00 -0.268 OA ATOM 42 C LIG 1 -6.156 0.991 1.619 0.00 0.00 +0.037 A ATOM 43 C LIG 1 -6.919 1.896 0.965 0.00 0.00 -0.039 A ATOM 44 C LIG 1 -6.473 3.278 0.574 0.00 0.00 +0.044 C ATOM 45 C LIG 1 -8.279 1.557 0.571 0.00 0.00 +0.024 A ENDBRANCH 35 42 ENDBRANCH 31 35 ENDBRANCH 1 33 BRANCH 5 46 ATOM 46 C LIG 1 -1.382 -2.278 -3.944 0.00 0.00 +0.102 C ATOM 47 C LIG 1 -1.515 -1.569 -5.291 0.00 0.00 +0.032 C ATOM 48 C LIG 1 -2.054 -3.651 -3.967 0.00 0.00 +0.032 C ENDBRANCH 5 46 TORSDOF 7