REMARK Name = BDB060751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.706 0.433 -0.774 0.00 0.00 -0.209 N ATOM 2 C LIG 1 -4.116 -0.619 0.040 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -5.260 -0.937 0.325 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.957 -1.224 0.460 0.00 0.00 -0.275 N ATOM 5 C LIG 1 -1.952 -0.508 -0.079 0.00 0.00 +0.134 A ATOM 6 N LIG 1 -2.333 0.492 -0.823 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -4.563 1.441 -1.348 0.00 0.00 +0.184 C BRANCH 7 12 ATOM 8 C LIG 1 -5.399 5.898 2.311 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -5.171 4.739 1.387 0.00 0.00 -0.050 A ATOM 10 C LIG 1 -4.067 4.724 0.527 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -3.871 3.659 -0.355 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.786 2.599 -0.407 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -5.891 2.616 0.455 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.086 3.682 1.337 0.00 0.00 +0.004 A ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 15 ATOM 15 C LIG 1 -2.928 -2.340 1.383 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 C LIG 1 -2.601 -3.649 0.700 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -1.465 -4.386 1.073 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -1.165 -5.592 0.437 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -2.002 -6.066 -0.565 0.00 0.00 +0.123 A ATOM 20 F LIG 1 -1.711 -7.223 -1.174 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -3.138 -5.361 -0.941 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -3.440 -4.155 -0.308 0.00 0.00 +0.008 A ENDBRANCH 15 16 ENDBRANCH 4 15 BRANCH 5 23 ATOM 23 C LIG 1 -0.502 -0.848 0.119 0.00 0.00 +0.077 C BRANCH 23 24 ATOM 24 C LIG 1 0.015 -1.639 -1.083 0.00 0.00 +0.012 C BRANCH 24 25 ATOM 25 C LIG 1 1.397 -2.256 -0.847 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 2.488 -1.240 -0.614 0.00 0.00 -0.047 A ATOM 27 C LIG 1 3.083 -1.112 0.649 0.00 0.00 +0.007 A ATOM 28 C LIG 1 4.086 -0.166 0.867 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.521 0.637 -0.184 0.00 0.00 +0.122 A ATOM 30 C LIG 1 3.911 0.549 -1.432 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.909 -0.397 -1.651 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 O LIG 1 5.461 1.603 0.031 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 6.840 1.203 -0.130 0.00 0.00 +0.200 C ATOM 34 C LIG 1 7.317 0.361 1.061 0.00 0.00 +0.067 C ATOM 35 C LIG 1 7.153 0.491 -1.454 0.00 0.00 +0.067 C BRANCH 33 36 ATOM 36 C LIG 1 7.619 2.527 -0.129 0.00 0.00 +0.348 C ATOM 37 O LIG 1 8.549 2.835 0.603 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 7.202 3.405 -1.070 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 7.756 4.198 -0.918 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 12