REMARK Name = BDB048343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.790 -0.078 -0.679 0.00 0.00 +0.109 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.666 -0.094 0.791 0.00 0.00 -0.316 N ATOM 3 C LIG 1 -0.031 -1.266 1.342 0.00 0.00 +0.130 C BRANCH 2 6 ATOM 4 C LIG 1 4.235 0.131 1.400 0.00 0.00 +0.162 A ATOM 5 N LIG 1 3.062 -0.054 0.755 0.00 0.00 -0.210 NA ATOM 6 C LIG 1 1.913 0.090 1.453 0.00 0.00 +0.160 A ATOM 7 C LIG 1 1.949 0.433 2.800 0.00 0.00 +0.181 A ATOM 8 F LIG 1 0.838 0.617 3.529 0.00 0.00 -0.200 F ATOM 9 C LIG 1 3.185 0.603 3.374 0.00 0.00 +0.155 A ATOM 10 N LIG 1 4.343 0.455 2.704 0.00 0.00 -0.233 NA BRANCH 4 14 ATOM 11 C LIG 1 7.881 -0.354 -0.877 0.00 0.00 -0.048 A ATOM 12 C LIG 1 7.928 -0.012 0.477 0.00 0.00 +0.004 A ATOM 13 C LIG 1 6.746 0.145 1.211 0.00 0.00 +0.012 A ATOM 14 C LIG 1 5.481 -0.037 0.623 0.00 0.00 +0.019 A ATOM 15 C LIG 1 5.457 -0.387 -0.740 0.00 0.00 +0.012 A ATOM 16 C LIG 1 6.635 -0.547 -1.479 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 9.649 -1.978 -1.603 0.00 0.00 +0.009 C ATOM 18 C LIG 1 9.152 -0.542 -1.665 0.00 0.00 +0.032 C ENDBRANCH 11 18 ENDBRANCH 4 14 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.538 0.279 -1.344 0.00 0.00 +0.060 C BRANCH 19 20 ATOM 20 C LIG 1 -0.977 1.707 -1.023 0.00 0.00 +0.230 C BRANCH 20 21 ATOM 21 O LIG 1 -2.241 1.993 -1.626 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.378 1.587 -0.980 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -4.555 1.780 -1.712 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -5.763 1.382 -1.161 0.00 0.00 -0.040 A ATOM 25 C LIG 1 -7.127 1.510 -1.761 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -7.914 0.505 -0.905 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -7.251 0.525 0.489 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -5.824 0.813 0.116 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -4.670 0.636 0.859 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -3.443 1.018 0.302 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 -7.529 -0.701 1.352 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 -6.979 -2.004 0.822 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -5.869 -2.437 1.088 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.847 -2.683 0.039 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -8.709 -2.245 -0.085 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11