REMARK Name = BDB031744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.479 -0.056 2.567 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.779 1.159 2.690 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.464 1.285 2.059 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.052 0.266 1.322 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.292 0.809 0.852 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -2.458 2.060 1.290 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.368 -0.958 1.212 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.352 2.321 1.995 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.264 3.238 2.417 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.879 -1.099 1.840 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.917 -0.201 -1.422 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.588 0.114 -0.095 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.193 -0.581 0.942 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.088 -0.505 2.439 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.821 -0.257 3.232 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.082 -1.533 2.928 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.641 -2.123 1.808 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.344 -2.843 1.867 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.327 -1.778 4.097 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.899 0.805 3.149 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.134 -1.573 0.630 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.483 -1.908 -0.661 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.859 -1.209 -1.698 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.517 0.260 -3.724 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.254 0.548 -2.357 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.142 0.078 0.096 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -2.868 -0.855 -0.185 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.287 0.478 -0.634 0.00 0.00 +0.187 A ATOM 29 C LIG 1 -5.095 -0.522 -1.220 0.00 0.00 +0.256 A ATOM 30 N LIG 1 -6.227 -0.264 -1.921 0.00 0.00 -0.217 NA ATOM 31 C LIG 1 -6.547 1.045 -2.012 0.00 0.00 +0.137 A ATOM 32 C LIG 1 -5.778 2.053 -1.444 0.00 0.00 +0.059 A ATOM 33 C LIG 1 -6.182 3.487 -1.574 0.00 0.00 +0.067 C ATOM 34 N LIG 1 -4.645 1.777 -0.755 0.00 0.00 -0.231 NA BRANCH 29 35 ATOM 35 O LIG 1 -4.665 -1.836 -1.083 0.00 0.00 -0.477 OA ATOM 36 C LIG 1 -5.580 -2.778 -1.635 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5