REMARK Name = BDB061741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.898 1.133 0.452 0.00 0.00 -0.046 A ATOM 2 C LIG 1 -1.649 2.308 0.558 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -3.044 2.265 0.475 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -3.715 1.050 0.285 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -2.964 -0.119 0.168 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.568 -0.079 0.253 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -5.123 1.097 0.202 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -5.539 2.006 0.334 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -6.004 0.026 0.158 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -7.300 0.484 -0.041 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -7.384 1.434 -0.367 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -5.690 -1.151 0.274 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 -8.489 -0.277 -0.036 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -8.558 -1.613 0.359 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -9.782 -2.278 0.340 0.00 0.00 +0.125 A ATOM 16 F LIG 1 -9.842 -3.561 0.722 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -10.947 -1.636 -0.063 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -10.890 -0.302 -0.452 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -9.666 0.374 -0.436 0.00 0.00 +0.023 A ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 0.609 1.168 0.524 0.00 0.00 +0.054 C BRANCH 20 21 ATOM 21 C LIG 1 1.243 1.154 -0.873 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 N LIG 1 2.704 1.273 -0.804 0.00 0.00 -0.328 N ATOM 23 H LIG 1 3.077 1.639 -1.677 0.00 0.00 +0.147 HD BRANCH 22 33 ATOM 24 C LIG 1 7.620 0.030 -0.154 0.00 0.00 +0.158 A ATOM 25 C LIG 1 6.981 1.235 -0.436 0.00 0.00 +0.166 A ATOM 26 F LIG 1 7.693 2.360 -0.600 0.00 0.00 -0.202 F ATOM 27 C LIG 1 5.599 1.301 -0.554 0.00 0.00 +0.055 A ATOM 28 C LIG 1 4.816 0.136 -0.392 0.00 0.00 +0.043 A ATOM 29 C LIG 1 5.449 -1.080 -0.095 0.00 0.00 +0.080 A ATOM 30 N LIG 1 4.771 -2.215 0.091 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 3.440 -2.142 -0.008 0.00 0.00 +0.223 A ATOM 32 N LIG 1 2.726 -1.047 -0.291 0.00 0.00 -0.220 NA ATOM 33 C LIG 1 3.412 0.089 -0.495 0.00 0.00 +0.130 A ATOM 34 C LIG 1 6.837 -1.115 0.015 0.00 0.00 +0.077 A BRANCH 24 35 ATOM 35 O LIG 1 8.984 0.086 -0.065 0.00 0.00 -0.489 OA BRANCH 35 37 ATOM 36 C LIG 1 11.159 -0.816 0.293 0.00 0.00 +0.048 C ATOM 37 C LIG 1 9.674 -1.124 0.240 0.00 0.00 +0.226 C ENDBRANCH 35 37 ENDBRANCH 24 35 ENDBRANCH 22 33 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8