REMARK Name = BDB019909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.794 1.148 -2.133 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.250 2.246 -1.465 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.094 2.228 -1.083 0.00 0.00 -0.013 A ATOM 4 C LIG 1 1.894 1.123 -1.408 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.368 0.035 -2.122 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.013 0.060 -2.482 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.652 3.336 -0.338 0.00 0.00 +0.032 A ATOM 8 C LIG 1 2.761 4.193 -0.606 0.00 0.00 +0.173 A ATOM 9 N LIG 1 2.928 5.083 0.397 0.00 0.00 -0.167 NA ATOM 10 N LIG 1 1.957 4.782 1.277 0.00 0.00 -0.273 N ATOM 11 C LIG 1 1.853 5.534 2.505 0.00 0.00 +0.172 C ATOM 12 C LIG 1 1.159 3.753 0.880 0.00 0.00 +0.117 A BRANCH 8 13 ATOM 13 C LIG 1 3.647 4.157 -1.822 0.00 0.00 +0.437 C ATOM 14 F LIG 1 4.404 3.024 -1.863 0.00 0.00 -0.164 F ATOM 15 F LIG 1 4.514 5.202 -1.901 0.00 0.00 -0.164 F ATOM 16 F LIG 1 2.924 4.172 -2.977 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 -3.203 1.309 -1.590 0.00 0.00 -0.303 N ATOM 18 H LIG 1 -4.131 1.172 -1.970 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 -2.218 1.113 -2.525 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -2.517 0.853 -3.687 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -3.079 1.311 -0.134 0.00 0.00 +0.125 C BRANCH 21 28 ATOM 22 C LIG 1 -2.934 -3.767 -0.038 0.00 0.00 +0.047 C ATOM 23 C LIG 1 -2.477 -2.430 0.455 0.00 0.00 -0.012 A ATOM 24 C LIG 1 -1.558 -2.336 1.493 0.00 0.00 +0.144 A ATOM 25 F LIG 1 -1.050 -3.440 2.057 0.00 0.00 -0.204 F ATOM 26 C LIG 1 -1.175 -1.086 1.943 0.00 0.00 +0.149 A ATOM 27 N LIG 1 -1.662 0.075 1.444 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -2.568 -0.011 0.433 0.00 0.00 +0.062 A ATOM 29 C LIG 1 -2.992 -1.244 -0.078 0.00 0.00 +0.031 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 -4.396 1.789 0.442 0.00 0.00 +0.015 C ATOM 31 C LIG 1 -4.896 1.411 1.817 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -5.621 0.915 0.594 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 2.231 -1.161 -2.463 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 2.102 -2.208 -1.471 0.00 0.00 -0.313 N ATOM 35 C LIG 1 2.849 -2.306 -0.283 0.00 0.00 +0.204 A ATOM 36 N LIG 1 3.810 -1.563 0.142 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 4.013 -0.836 -0.540 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 2.297 -3.420 0.364 0.00 0.00 -0.314 N ATOM 39 C LIG 1 1.210 -3.899 -0.339 0.00 0.00 +0.107 A ATOM 40 C LIG 1 1.102 -3.181 -1.465 0.00 0.00 +0.107 A BRANCH 38 41 ATOM 41 C LIG 1 2.481 -3.669 1.785 0.00 0.00 +0.090 C ATOM 42 C LIG 1 2.577 -5.065 2.346 0.00 0.00 +0.027 C ATOM 43 C LIG 1 3.788 -4.181 2.325 0.00 0.00 +0.027 C ENDBRANCH 38 41 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9