REMARK Name = BDB034337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.024 -0.591 -0.782 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.374 -0.480 -0.510 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.282 -0.914 -1.504 0.00 0.00 +0.073 A ATOM 4 C LIG 1 2.648 -0.794 -1.281 0.00 0.00 +0.037 A ATOM 5 C LIG 1 3.186 -0.270 -0.095 0.00 0.00 -0.016 A ATOM 6 C LIG 1 2.291 0.137 0.896 0.00 0.00 +0.009 A ATOM 7 N LIG 1 0.888 -1.453 -2.666 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -0.431 -1.608 -2.870 0.00 0.00 +0.113 A ATOM 9 C LIG 1 0.912 0.033 0.695 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -1.404 -1.214 -1.971 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 4.641 -0.161 0.099 0.00 0.00 -0.018 A ATOM 12 C LIG 1 5.266 -0.689 1.236 0.00 0.00 +0.009 A ATOM 13 C LIG 1 6.652 -0.586 1.423 0.00 0.00 +0.005 A ATOM 14 C LIG 1 7.470 0.051 0.479 0.00 0.00 -0.042 A ATOM 15 C LIG 1 6.838 0.579 -0.662 0.00 0.00 +0.005 A ATOM 16 C LIG 1 5.453 0.474 -0.848 0.00 0.00 +0.009 A BRANCH 14 17 ATOM 17 C LIG 1 8.993 0.183 0.649 0.00 0.00 -0.013 C ATOM 18 C LIG 1 9.710 -0.516 -0.525 0.00 0.00 +0.015 C ATOM 19 C LIG 1 9.532 -0.447 1.954 0.00 0.00 +0.015 C ATOM 20 C LIG 1 9.386 1.676 0.668 0.00 0.00 +0.015 C ENDBRANCH 14 17 ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 N LIG 1 -1.967 -0.195 0.183 0.00 0.00 -0.343 N ATOM 22 H LIG 1 -1.632 0.585 0.742 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.397 -0.076 -0.108 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -3.691 1.173 -0.937 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 -5.182 1.514 -1.040 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 -5.964 0.632 -1.905 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 -5.379 0.247 -2.644 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 -6.661 -0.453 -1.210 0.00 0.00 +0.120 C BRANCH 28 30 ATOM 29 C LIG 1 -7.748 -0.246 1.096 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -7.763 0.023 -0.289 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -8.838 0.747 -0.836 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -9.870 1.190 -0.020 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -10.887 1.879 -0.553 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -9.861 0.927 1.341 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -8.801 0.210 1.901 0.00 0.00 +0.049 A BRANCH 29 37 ATOM 36 C LIG 1 -6.623 -1.250 2.949 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -6.666 -0.947 1.560 0.00 0.00 -0.495 OA ENDBRANCH 29 37 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 10