REMARK Name = BDB027392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.719 1.484 0.397 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -2.024 1.112 0.751 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.112 1.814 0.175 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.898 2.857 -0.726 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.650 3.223 -1.078 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.620 2.552 -0.511 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.995 3.615 -1.363 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.197 3.902 -0.686 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -6.225 4.618 -1.311 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -6.061 5.059 -2.619 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -7.047 5.743 -3.218 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.886 4.806 -3.312 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.861 4.090 -2.685 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 2.216 -0.873 0.869 0.00 0.00 +0.075 C ATOM 15 C LIG 1 0.690 -0.524 0.895 0.00 0.00 +0.133 C ATOM 16 N LIG 1 0.467 0.934 0.869 0.00 0.00 -0.326 N ATOM 17 C LIG 1 1.093 1.677 1.971 0.00 0.00 +0.105 C ATOM 18 C LIG 1 2.599 1.419 1.957 0.00 0.00 +0.021 C ATOM 19 C LIG 1 2.909 -0.081 2.014 0.00 0.00 +0.031 C BRANCH 14 22 ATOM 20 C LIG 1 4.938 -0.862 -1.679 0.00 0.00 +0.075 A ATOM 21 N LIG 1 4.247 -0.994 -0.516 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 2.936 -0.608 -0.471 0.00 0.00 +0.063 A ATOM 23 C LIG 1 2.304 -0.082 -1.594 0.00 0.00 +0.025 A ATOM 24 C LIG 1 3.023 0.064 -2.776 0.00 0.00 +0.004 A ATOM 25 C LIG 1 4.354 -0.329 -2.823 0.00 0.00 +0.026 A BRANCH 20 27 ATOM 26 C LIG 1 6.776 -2.334 -0.713 0.00 0.00 +0.050 C ATOM 27 C LIG 1 6.407 -1.236 -1.702 0.00 0.00 +0.211 C ATOM 28 F LIG 1 6.817 -1.659 -2.943 0.00 0.00 -0.239 F ENDBRANCH 20 27 ENDBRANCH 14 22 BRANCH 14 29 ATOM 29 N LIG 1 2.376 -2.324 1.195 0.00 0.00 -0.319 NA ATOM 30 H LIG 1 3.384 -2.506 1.147 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 1.991 -2.864 0.416 0.00 0.00 +0.119 HD ENDBRANCH 14 29 ENDBRANCH 1 16 BRANCH 2 32 ATOM 32 C LIG 1 -2.360 0.026 1.744 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -2.463 -1.302 1.160 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -2.191 -2.467 1.829 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -2.419 -3.473 0.905 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -2.185 -4.790 1.334 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -1.733 -4.988 2.593 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -1.561 -3.910 3.388 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.836 -2.945 -0.300 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -1.772 -2.608 3.096 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -2.869 -1.643 -0.104 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -2.376 -5.898 0.516 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -1.817 -6.690 0.804 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -2.413 -5.667 -0.471 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8