REMARK Name = BDB048957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.108 1.218 1.520 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.260 0.141 1.228 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.132 -0.739 2.242 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.351 -0.579 3.540 0.00 0.00 +0.046 A ATOM 5 C LIG 1 1.202 0.485 3.837 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.578 1.379 2.833 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.561 2.158 0.434 0.00 0.00 +0.140 C BRANCH 7 9 ATOM 8 C LIG 1 4.015 2.313 0.280 0.00 0.00 +0.245 C ATOM 9 N LIG 1 2.830 1.730 -0.102 0.00 0.00 -0.307 N ATOM 10 H LIG 1 2.852 0.887 -0.658 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 4.109 3.322 0.966 0.00 0.00 -0.270 OA BRANCH 8 17 ATOM 12 C LIG 1 8.788 -0.082 -1.938 0.00 0.00 +0.044 C ATOM 13 C LIG 1 7.538 0.518 -1.364 0.00 0.00 -0.050 A ATOM 14 C LIG 1 6.693 -0.249 -0.548 0.00 0.00 +0.007 A ATOM 15 C LIG 1 5.540 0.305 0.034 0.00 0.00 -0.038 A ATOM 16 C LIG 1 4.687 -0.554 0.926 0.00 0.00 +0.044 C ATOM 17 C LIG 1 5.233 1.649 -0.242 0.00 0.00 +0.040 A ATOM 18 C LIG 1 6.091 2.431 -1.025 0.00 0.00 +0.013 A ATOM 19 C LIG 1 7.239 1.867 -1.581 0.00 0.00 +0.004 A ENDBRANCH 8 17 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 20 ATOM 20 O LIG 1 -0.938 -1.831 2.006 0.00 0.00 -0.456 OA BRANCH 20 21 ATOM 21 C LIG 1 -2.075 -1.621 1.260 0.00 0.00 +0.129 A ATOM 22 C LIG 1 -2.340 -2.525 0.235 0.00 0.00 +0.053 A ATOM 23 C LIG 1 -3.495 -2.386 -0.550 0.00 0.00 -0.005 A ATOM 24 C LIG 1 -3.756 -3.365 -1.664 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -4.400 -1.336 -0.288 0.00 0.00 +0.125 A ATOM 26 C LIG 1 -4.134 -0.455 0.762 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -2.979 -0.599 1.538 0.00 0.00 +0.050 A BRANCH 25 28 ATOM 28 O LIG 1 -5.485 -1.298 -1.116 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 -6.479 -0.274 -1.061 0.00 0.00 +0.200 C ATOM 30 C LIG 1 -7.323 -0.481 -2.334 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -7.411 -0.499 0.140 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 -5.981 1.183 -1.125 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -6.343 2.107 -0.411 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -5.058 1.400 -2.086 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -4.824 2.346 -1.992 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 9