REMARK Name = BDB058618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.925 -0.207 0.223 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.654 -1.316 -0.574 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.534 -1.936 -0.512 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.617 -1.807 -1.451 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.870 -1.193 -1.519 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.170 -0.090 -0.703 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.190 0.391 0.180 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.253 0.423 2.354 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.075 0.308 1.175 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -1.326 0.678 0.706 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -2.297 1.236 1.628 0.00 0.00 +0.121 C ATOM 12 C LIG 1 -3.560 1.427 0.812 0.00 0.00 +0.106 C ATOM 13 C LIG 1 -3.148 1.314 -0.655 0.00 0.00 +0.106 C ATOM 14 C LIG 1 -3.919 0.131 -1.169 0.00 0.00 +0.227 C ATOM 15 N LIG 1 -4.665 -0.390 -0.155 0.00 0.00 -0.237 N ATOM 16 O LIG 1 -3.857 -0.275 -2.321 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -4.519 0.289 1.019 0.00 0.00 +0.227 C ATOM 18 O LIG 1 -5.071 0.041 2.081 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -1.657 1.028 -0.667 0.00 0.00 +0.121 C BRANCH 15 20 ATOM 20 C LIG 1 -5.545 -1.526 -0.314 0.00 0.00 +0.151 C BRANCH 20 21 ATOM 21 C LIG 1 -6.932 -1.096 -0.732 0.00 0.00 -0.030 A ATOM 22 C LIG 1 -7.899 -0.776 0.232 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -9.172 -0.355 -0.155 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -9.489 -0.243 -1.508 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -8.533 -0.548 -2.475 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -7.259 -0.969 -2.090 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 9 BRANCH 6 27 ATOM 27 C LIG 1 4.543 0.542 -0.744 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 5.612 -0.160 0.088 0.00 0.00 +0.074 A ATOM 29 C LIG 1 6.969 0.446 0.147 0.00 0.00 +0.011 A ATOM 30 C LIG 1 7.931 -0.211 0.911 0.00 0.00 +0.050 A ATOM 31 C LIG 1 9.231 0.299 1.014 0.00 0.00 +0.014 A ATOM 32 C LIG 1 9.569 1.475 0.345 0.00 0.00 +0.001 A ATOM 33 C LIG 1 8.611 2.135 -0.424 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.568 -1.453 1.611 0.00 0.00 +0.272 A ATOM 35 O LIG 1 8.383 -2.063 2.293 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 6.275 -1.880 1.446 0.00 0.00 -0.242 N ATOM 37 H LIG 1 5.999 -2.731 1.928 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 7.313 1.625 -0.525 0.00 0.00 +0.010 A ATOM 39 N LIG 1 5.314 -1.263 0.710 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5