REMARK Name = BDB009369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.199 -0.011 2.093 0.00 0.00 +0.079 A ATOM 2 C LIG 1 1.549 -0.380 3.399 0.00 0.00 +0.145 A ATOM 3 F LIG 1 0.800 -1.251 4.091 0.00 0.00 -0.204 F ATOM 4 C LIG 1 2.730 0.061 3.990 0.00 0.00 +0.040 A ATOM 5 C LIG 1 3.603 0.877 3.275 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.308 1.244 1.955 0.00 0.00 -0.040 A ATOM 7 C LIG 1 2.098 0.805 1.384 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -2.144 -1.371 1.254 0.00 0.00 +0.172 C ATOM 9 C LIG 1 -1.180 -0.674 2.192 0.00 0.00 +0.247 C ATOM 10 O LIG 1 -1.476 -0.339 3.332 0.00 0.00 -0.273 OA ATOM 11 N LIG 1 -0.010 -0.461 1.498 0.00 0.00 -0.206 N ATOM 12 C LIG 1 -0.201 -0.634 0.145 0.00 0.00 +0.229 C ATOM 13 O LIG 1 0.626 -0.562 -0.753 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -1.648 -0.939 -0.110 0.00 0.00 +0.128 C BRANCH 8 17 ATOM 15 O LIG 1 -4.442 -2.348 -0.065 0.00 0.00 -0.226 OA ATOM 16 C LIG 1 -4.559 -1.591 0.887 0.00 0.00 +0.401 C ATOM 17 N LIG 1 -3.515 -1.008 1.534 0.00 0.00 -0.269 N ATOM 18 H LIG 1 -3.736 -0.544 2.410 0.00 0.00 +0.153 HD BRANCH 16 19 ATOM 19 O LIG 1 -5.714 -1.210 1.471 0.00 0.00 -0.446 OA BRANCH 19 20 ATOM 20 C LIG 1 -6.909 -1.721 0.869 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 C LIG 1 -7.461 -0.708 -0.101 0.00 0.00 -0.010 A ATOM 22 C LIG 1 -7.209 -0.828 -1.474 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -7.705 0.120 -2.370 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -8.450 1.200 -1.901 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -8.696 1.337 -0.536 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -8.201 0.390 0.361 0.00 0.00 +0.007 A ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 8 17 ENDBRANCH 1 11 BRANCH 6 27 ATOM 27 C LIG 1 4.269 2.152 1.215 0.00 0.00 +0.092 C BRANCH 27 28 ATOM 28 C LIG 1 4.240 2.028 -0.305 0.00 0.00 +0.069 A ATOM 29 C LIG 1 4.952 0.891 -0.968 0.00 0.00 -0.016 A ATOM 30 C LIG 1 5.681 -0.143 -0.156 0.00 0.00 +0.037 C ATOM 31 C LIG 1 6.061 -1.390 -0.961 0.00 0.00 +0.005 C ATOM 32 C LIG 1 6.610 -1.016 -2.332 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.585 -0.210 -3.132 0.00 0.00 +0.041 C ATOM 34 C LIG 1 4.898 0.846 -2.310 0.00 0.00 +0.023 A ATOM 35 C LIG 1 4.141 1.879 -3.061 0.00 0.00 +0.268 A ATOM 36 O LIG 1 4.067 1.866 -4.285 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 3.540 2.848 -2.304 0.00 0.00 -0.243 N ATOM 38 H LIG 1 3.014 3.561 -2.798 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 3.578 2.944 -0.948 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 7