REMARK Name = BDB027132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.898 -0.388 2.148 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.421 -0.646 3.239 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.051 0.497 0.080 0.00 0.00 +0.039 A ATOM 4 C LIG 1 3.876 -0.785 0.618 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.632 -1.087 1.194 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.565 -0.183 1.231 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.467 -0.848 1.872 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.926 -2.098 2.250 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.775 1.104 0.690 0.00 0.00 +0.011 A ATOM 10 N LIG 1 2.208 -2.245 1.805 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.772 -3.076 1.923 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.009 1.426 0.110 0.00 0.00 +0.014 A BRANCH 3 15 ATOM 13 N LIG 1 6.488 0.371 -0.036 0.00 0.00 -0.300 N ATOM 14 H LIG 1 6.434 -0.321 0.699 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 5.331 0.911 -0.558 0.00 0.00 +0.245 C ATOM 16 O LIG 1 5.331 1.718 -1.480 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 17 C LIG 1 8.905 0.502 0.311 0.00 0.00 +0.037 C ATOM 18 C LIG 1 7.779 0.565 -0.719 0.00 0.00 +0.174 C BRANCH 18 19 ATOM 19 C LIG 1 8.030 -0.449 -1.852 0.00 0.00 +0.407 C ATOM 20 F LIG 1 7.073 -0.413 -2.803 0.00 0.00 -0.169 F ATOM 21 F LIG 1 9.218 -0.222 -2.459 0.00 0.00 -0.169 F ATOM 22 F LIG 1 8.063 -1.713 -1.361 0.00 0.00 -0.169 F ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 23 ATOM 23 C LIG 1 -1.662 0.444 1.075 0.00 0.00 +0.156 C BRANCH 23 24 ATOM 24 C LIG 1 -1.655 -0.235 -0.287 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -2.265 -1.489 -0.466 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -2.256 -2.115 -1.713 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -1.639 -1.497 -2.798 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.040 -0.249 -2.640 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.052 0.382 -1.394 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 N LIG 1 -3.058 0.654 1.535 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 -3.055 0.723 2.555 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.685 1.833 0.936 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 -5.181 1.910 1.279 0.00 0.00 +0.050 C BRANCH 33 34 ATOM 34 C LIG 1 -6.010 0.870 0.560 0.00 0.00 -0.046 A ATOM 35 C LIG 1 -6.551 1.142 -0.704 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.290 0.169 -1.383 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.490 -1.089 -0.806 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -6.951 -1.368 0.453 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -6.214 -0.394 1.130 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -8.240 -2.090 -1.505 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -8.849 -2.900 -2.072 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 11