REMARK Name = BDB039096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.358 1.113 0.923 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.491 0.177 0.389 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.095 0.572 0.236 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.151 -0.560 -0.083 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.610 -1.881 -0.285 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.708 -2.917 -0.562 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.335 -2.680 -0.676 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.891 -1.364 -0.496 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.360 -0.767 -0.534 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.189 0.581 -0.267 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.088 0.855 -0.075 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.080 -2.189 -0.143 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.766 -0.325 -0.206 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.944 -0.958 -0.404 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.001 2.182 1.407 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.271 1.627 -0.197 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.145 2.592 -1.392 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.739 3.960 -1.080 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -0.986 4.645 0.067 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -0.447 3.662 1.120 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.240 2.356 1.163 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -1.862 5.717 0.676 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -1.813 6.909 0.421 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.794 5.245 1.525 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.276 6.049 1.810 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.583 1.660 1.405 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.660 0.720 0.856 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.609 -1.495 -0.793 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -2.331 -0.983 -2.042 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.467 -1.604 0.486 0.00 0.00 +0.056 C BRANCH 30 31 ATOM 31 C LIG 1 -3.594 -2.639 0.387 0.00 0.00 +0.120 C ATOM 32 O LIG 1 -4.589 -2.170 -0.518 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 -5.567 -3.163 -0.842 0.00 0.00 +0.160 C ATOM 34 C LIG 1 -5.881 -4.112 0.313 0.00 0.00 +0.028 C ATOM 35 C LIG 1 -5.661 -3.429 1.653 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -4.242 -2.869 1.760 0.00 0.00 +0.032 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7