REMARK Name = BDB047735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.690 -1.561 1.144 0.00 0.00 +0.163 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.188 0.477 2.521 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.959 1.009 3.358 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.481 -0.683 2.389 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.298 -1.017 3.286 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -1.896 1.222 1.474 0.00 0.00 +0.159 C BRANCH 6 10 ATOM 7 C LIG 1 -2.071 5.022 1.089 0.00 0.00 +0.128 C ATOM 8 N LIG 1 -2.075 3.601 0.853 0.00 0.00 -0.317 N ATOM 9 H LIG 1 -1.905 3.275 -0.092 0.00 0.00 +0.148 HD ATOM 10 C LIG 1 -1.890 2.711 1.890 0.00 0.00 +0.233 C ATOM 11 O LIG 1 -1.765 3.064 3.062 0.00 0.00 -0.274 OA ENDBRANCH 6 10 BRANCH 6 12 ATOM 12 C LIG 1 -3.337 0.703 1.330 0.00 0.00 +0.034 C BRANCH 12 13 ATOM 13 C LIG 1 -4.084 1.125 0.048 0.00 0.00 -0.015 C ATOM 14 C LIG 1 -5.513 0.572 0.083 0.00 0.00 +0.007 C ATOM 15 C LIG 1 -3.385 0.651 -1.227 0.00 0.00 +0.007 C ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 16 ATOM 16 N LIG 1 0.622 -1.829 0.571 0.00 0.00 -0.297 N ATOM 17 H LIG 1 1.251 -2.463 1.056 0.00 0.00 +0.150 HD ATOM 18 C LIG 1 1.167 -1.020 -0.405 0.00 0.00 +0.285 C ATOM 19 O LIG 1 0.579 -0.101 -0.956 0.00 0.00 -0.267 OA BRANCH 18 20 ATOM 20 C LIG 1 2.612 -1.395 -0.776 0.00 0.00 +0.250 C ATOM 21 O LIG 1 2.897 -2.592 -0.714 0.00 0.00 -0.282 OA BRANCH 20 22 ATOM 22 C LIG 1 3.587 -0.384 -1.171 0.00 0.00 +0.060 A ATOM 23 C LIG 1 4.642 -0.565 -2.128 0.00 0.00 +0.011 A ATOM 24 C LIG 1 5.335 0.639 -2.223 0.00 0.00 +0.048 A ATOM 25 C LIG 1 6.428 0.824 -3.078 0.00 0.00 +0.026 A ATOM 26 C LIG 1 6.824 -0.260 -3.866 0.00 0.00 +0.002 A ATOM 27 C LIG 1 6.153 -1.478 -3.797 0.00 0.00 +0.001 A ATOM 28 N LIG 1 4.744 1.510 -1.343 0.00 0.00 -0.354 N ATOM 29 H LIG 1 5.067 2.452 -1.170 0.00 0.00 +0.166 HD ATOM 30 C LIG 1 5.064 -1.644 -2.935 0.00 0.00 +0.011 A ATOM 31 C LIG 1 3.697 0.912 -0.677 0.00 0.00 +0.059 A BRANCH 31 32 ATOM 32 C LIG 1 2.984 1.622 0.382 0.00 0.00 -0.001 A ATOM 33 C LIG 1 2.899 1.075 1.668 0.00 0.00 +0.010 A ATOM 34 C LIG 1 2.233 1.762 2.685 0.00 0.00 +0.001 A ATOM 35 C LIG 1 1.655 3.003 2.427 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.742 3.558 1.152 0.00 0.00 +0.001 A ATOM 37 C LIG 1 2.400 2.870 0.132 0.00 0.00 +0.010 A ENDBRANCH 31 32 ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 1 38 ATOM 38 C LIG 1 -1.403 -2.850 1.585 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 C LIG 1 -1.947 -3.641 0.417 0.00 0.00 -0.045 A ATOM 40 C LIG 1 -3.265 -3.446 -0.020 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -3.761 -4.156 -1.114 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -2.945 -5.067 -1.782 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -1.633 -5.269 -1.356 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -1.135 -4.559 -0.263 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 11