REMARK Name = BDB010979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.171 0.643 0.755 0.00 0.00 -0.032 A ATOM 2 C LIG 1 1.948 1.021 0.197 0.00 0.00 +0.020 A ATOM 3 C LIG 1 0.859 0.138 0.220 0.00 0.00 +0.066 A ATOM 4 C LIG 1 0.965 -1.126 0.802 0.00 0.00 +0.089 A ATOM 5 N LIG 1 -0.119 -2.007 0.819 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -1.228 -1.632 0.271 0.00 0.00 +0.207 A ATOM 7 N LIG 1 -1.464 -0.414 -0.334 0.00 0.00 -0.267 N ATOM 8 C LIG 1 2.186 -1.516 1.371 0.00 0.00 +0.081 A ATOM 9 C LIG 1 -0.440 0.539 -0.367 0.00 0.00 +0.266 A ATOM 10 O LIG 1 -0.535 1.690 -0.792 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.277 -0.625 1.344 0.00 0.00 +0.019 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.759 -0.129 -0.901 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -3.931 -0.713 -0.382 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -5.231 -0.469 -0.901 0.00 0.00 -0.031 A ATOM 15 C LIG 1 -5.300 0.393 -2.009 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -4.158 0.986 -2.546 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -2.904 0.731 -1.994 0.00 0.00 +0.026 A BRANCH 14 18 ATOM 18 C LIG 1 -6.530 -1.157 -0.219 0.00 0.00 +0.069 C ATOM 19 C LIG 1 -7.950 -0.987 -0.882 0.00 0.00 +0.094 C ATOM 20 C LIG 1 -7.709 -2.361 -1.528 0.00 0.00 +0.136 C ATOM 21 O LIG 1 -8.161 -2.917 -2.505 0.00 0.00 -0.297 OA ATOM 22 C LIG 1 -6.646 -2.718 -0.473 0.00 0.00 +0.094 C BRANCH 18 23 ATOM 23 C LIG 1 -6.582 -0.783 1.317 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.683 0.464 1.872 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.770 1.730 1.197 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.666 0.277 3.219 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -6.559 -1.005 3.481 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.501 -1.673 2.283 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.334 -2.877 2.002 0.00 0.00 +0.419 C ATOM 30 F LIG 1 3.583 -3.087 2.518 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.484 -3.084 3.047 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.136 -3.904 1.129 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 4.355 1.590 0.743 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 9.247 1.980 0.091 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.900 1.666 -0.556 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.754 1.768 0.474 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.545 1.007 0.111 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.410 0.858 -1.339 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.558 0.002 -1.888 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.905 0.289 -1.218 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6