REMARK Name = BDB051026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.103 -0.714 -1.575 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.415 0.638 -1.257 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.607 1.549 -0.925 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -1.910 1.081 -0.917 0.00 0.00 +0.138 A ATOM 5 O LIG 1 -2.775 2.076 -0.578 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -2.030 3.200 -0.368 0.00 0.00 +0.120 A ATOM 7 C LIG 1 -2.274 -0.227 -1.220 0.00 0.00 +0.070 A ATOM 8 C LIG 1 -0.694 2.925 -0.575 0.00 0.00 +0.055 A ATOM 9 C LIG 1 -1.254 -1.141 -1.554 0.00 0.00 +0.037 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 1.805 1.137 -1.265 0.00 0.00 +0.245 C ATOM 11 N LIG 1 2.297 1.476 -0.028 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.748 1.273 0.800 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 2.431 1.212 -2.314 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 3.685 1.822 0.180 0.00 0.00 +0.145 C BRANCH 14 15 ATOM 15 C LIG 1 4.454 0.584 0.538 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.251 0.112 1.948 0.00 0.00 +0.254 A ATOM 17 O LIG 1 3.486 0.680 2.723 0.00 0.00 -0.268 OA ATOM 18 N LIG 1 4.953 -1.002 2.333 0.00 0.00 -0.326 N ATOM 19 H LIG 1 4.800 -1.301 3.288 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 5.802 -1.706 1.516 0.00 0.00 +0.016 A ATOM 21 C LIG 1 6.477 -2.906 2.103 0.00 0.00 +0.063 C ATOM 22 C LIG 1 5.979 -1.293 0.253 0.00 0.00 +0.024 A ATOM 23 C LIG 1 5.295 -0.113 -0.260 0.00 0.00 -0.039 A ATOM 24 C LIG 1 5.604 0.207 -1.696 0.00 0.00 +0.044 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 10 BRANCH 1 26 ATOM 25 C LIG 1 1.804 -2.296 -0.574 0.00 0.00 +0.009 C ATOM 26 C LIG 1 1.227 -1.701 -1.851 0.00 0.00 +0.034 C ENDBRANCH 1 26 BRANCH 6 27 ATOM 27 C LIG 1 -2.774 4.433 0.016 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 N LIG 1 -2.256 5.029 1.258 0.00 0.00 -0.291 NA ATOM 29 C LIG 1 -2.578 4.220 2.457 0.00 0.00 +0.113 C ATOM 30 C LIG 1 -3.792 4.742 3.242 0.00 0.00 +0.175 C ATOM 31 O LIG 1 -3.633 6.093 3.699 0.00 0.00 -0.377 OA ATOM 32 C LIG 1 -2.749 6.866 2.877 0.00 0.00 +0.175 C ATOM 33 C LIG 1 -2.765 6.410 1.411 0.00 0.00 +0.113 C ENDBRANCH 27 28 ENDBRANCH 6 27 BRANCH 9 34 ATOM 34 N LIG 1 -1.574 -2.482 -1.894 0.00 0.00 -0.327 N BRANCH 34 35 ATOM 35 C LIG 1 -2.568 -3.194 -1.035 0.00 0.00 +0.078 C ATOM 36 C LIG 1 -2.220 -3.050 0.465 0.00 0.00 +0.050 C ATOM 37 C LIG 1 -2.682 -4.240 1.295 0.00 0.00 +0.161 C ATOM 38 O LIG 1 -3.877 -4.778 0.745 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 -3.648 -5.414 -0.510 0.00 0.00 +0.161 C ATOM 40 C LIG 1 -2.622 -4.689 -1.378 0.00 0.00 +0.050 C ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -1.696 -2.630 -3.367 0.00 0.00 +0.102 C ATOM 42 C LIG 1 -3.058 -2.235 -3.925 0.00 0.00 +0.024 C ENDBRANCH 34 41 ENDBRANCH 9 34 TORSDOF 9