REMARK Name = BDB007024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.305 -1.583 1.065 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.607 -1.543 0.596 0.00 0.00 -0.268 N ATOM 3 C LIG 1 -2.240 -0.770 -0.392 0.00 0.00 +0.059 A ATOM 4 C LIG 1 -3.587 -1.122 -0.489 0.00 0.00 +0.070 A ATOM 5 N LIG 1 -4.481 -0.565 -1.330 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 -3.997 0.420 -2.117 0.00 0.00 +0.120 A ATOM 7 C LIG 1 -2.673 0.864 -2.091 0.00 0.00 +0.041 A ATOM 8 C LIG 1 -3.932 -2.263 0.443 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -5.152 -1.950 1.312 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -4.153 -3.549 -0.363 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -1.775 0.245 -1.203 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -2.641 -2.340 1.289 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.048 -2.196 2.112 0.00 0.00 -0.274 OA ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 -2.238 1.992 -2.994 0.00 0.00 +0.278 C ATOM 15 F LIG 1 -0.963 1.829 -3.449 0.00 0.00 -0.200 F ATOM 16 F LIG 1 -3.012 2.095 -4.112 0.00 0.00 -0.200 F BRANCH 14 17 ATOM 17 C LIG 1 -2.328 3.320 -2.254 0.00 0.00 +0.063 C ATOM 18 C LIG 1 -1.832 4.574 -3.028 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -1.348 5.127 -1.670 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -1.231 3.663 -1.201 0.00 0.00 +0.010 C ENDBRANCH 14 17 ENDBRANCH 7 14 BRANCH 1 21 ATOM 21 C LIG 1 0.784 -0.860 0.262 0.00 0.00 +0.181 C BRANCH 21 28 ATOM 22 C LIG 1 4.248 -4.445 0.202 0.00 0.00 +0.025 C ATOM 23 C LIG 1 3.966 -2.990 0.597 0.00 0.00 +0.065 C ATOM 24 N LIG 1 4.942 -2.094 -0.063 0.00 0.00 -0.311 NA ATOM 25 H LIG 1 5.477 -2.596 -0.773 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 4.291 -0.926 -0.676 0.00 0.00 +0.101 C ATOM 27 C LIG 1 3.176 -0.270 0.196 0.00 0.00 +0.088 C ATOM 28 N LIG 1 2.150 -1.239 0.680 0.00 0.00 -0.287 NA ATOM 29 C LIG 1 2.475 -2.634 0.319 0.00 0.00 +0.103 C BRANCH 27 30 ATOM 30 C LIG 1 3.824 0.458 1.407 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 N LIG 1 2.914 1.350 2.120 0.00 0.00 -0.300 N ATOM 32 C LIG 1 2.484 2.558 1.595 0.00 0.00 +0.216 C ATOM 33 O LIG 1 2.866 3.081 0.557 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 1.395 3.092 2.497 0.00 0.00 +0.097 C ATOM 35 C LIG 1 1.489 2.204 3.745 0.00 0.00 +0.028 C ATOM 36 C LIG 1 2.113 0.917 3.241 0.00 0.00 +0.108 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 6