REMARK Name = BDB047683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.202 0.867 -0.851 0.00 0.00 -0.491 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -2.253 1.694 0.020 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -2.891 2.762 0.667 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -2.258 3.920 1.111 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -3.279 4.726 1.704 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -4.451 4.009 1.571 0.00 0.00 +0.204 A ATOM 7 C LIG 1 -0.876 4.056 0.882 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -0.194 3.020 0.229 0.00 0.00 +0.047 A ATOM 9 O LIG 1 -4.226 2.825 0.949 0.00 0.00 -0.462 OA ATOM 10 C LIG 1 -0.866 1.858 -0.169 0.00 0.00 +0.127 A BRANCH 5 11 ATOM 11 C LIG 1 -3.205 6.027 2.342 0.00 0.00 -0.014 A ATOM 12 C LIG 1 -2.247 6.269 3.335 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -2.169 7.522 3.950 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.045 8.540 3.574 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.999 8.310 2.583 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.080 7.057 1.968 0.00 0.00 +0.008 A ENDBRANCH 5 11 BRANCH 2 17 ATOM 17 C LIG 1 -2.993 0.476 -0.468 0.00 0.00 +0.042 C BRANCH 17 19 ATOM 18 C LIG 1 -4.104 -0.640 -2.435 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -3.421 0.621 -1.931 0.00 0.00 +0.001 C ENDBRANCH 17 19 ENDBRANCH 2 17 ENDBRANCH 1 10 BRANCH 1 20 ATOM 20 C LIG 1 0.934 0.334 -0.155 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 0.684 -1.156 0.063 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 1.850 -1.853 0.752 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 3.011 -1.781 -0.087 0.00 0.00 -0.491 OA BRANCH 23 24 ATOM 24 C LIG 1 3.652 -3.001 -0.106 0.00 0.00 +0.130 A ATOM 25 C LIG 1 3.447 -3.902 -1.172 0.00 0.00 +0.041 A ATOM 26 C LIG 1 2.674 -3.866 -2.365 0.00 0.00 +0.031 A ATOM 27 C LIG 1 2.860 -5.058 -3.025 0.00 0.00 +0.087 A ATOM 28 N LIG 1 3.699 -5.834 -2.264 0.00 0.00 -0.336 N ATOM 29 C LIG 1 4.089 -5.146 -1.131 0.00 0.00 +0.053 A ATOM 30 C LIG 1 4.944 -5.505 -0.073 0.00 0.00 +0.026 A ATOM 31 C LIG 1 5.157 -4.572 0.950 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.524 -3.332 0.936 0.00 0.00 +0.046 A BRANCH 28 33 ATOM 33 C LIG 1 4.176 -7.152 -2.657 0.00 0.00 +0.242 C BRANCH 33 34 ATOM 34 C LIG 1 3.423 -8.281 -1.993 0.00 0.00 +0.325 C ATOM 35 O LIG 1 2.390 -8.180 -1.347 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 O LIG 1 4.003 -9.491 -2.210 0.00 0.00 -0.479 OA ATOM 37 H LIG 1 4.818 -9.476 -2.748 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 12