REMARK Name = BDB038940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.630 1.724 1.237 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.819 0.715 0.745 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.418 0.969 0.431 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.598 -0.270 0.157 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.194 -1.552 0.102 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.418 -2.693 -0.138 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.041 -2.609 -0.356 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.458 -1.337 -0.318 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.835 -0.879 -0.474 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.820 0.489 -0.292 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.399 0.931 -0.074 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.671 -1.708 0.376 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.204 -0.187 -0.067 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.441 -0.423 0.089 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.850 1.644 1.321 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.965 1.225 -0.356 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -2.223 1.883 -1.641 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -1.230 3.010 -1.879 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -0.998 3.916 -0.654 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -1.284 3.337 0.745 0.00 0.00 +0.033 C ATOM 21 C LIG 1 -2.217 2.137 0.765 0.00 0.00 +0.109 C BRANCH 19 22 ATOM 22 C LIG 1 0.433 4.412 -0.694 0.00 0.00 +0.308 C ATOM 23 O LIG 1 0.734 5.583 -0.877 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 1.361 3.443 -0.522 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 0.975 2.541 -0.377 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 5.716 3.898 2.110 0.00 0.00 +0.282 C ATOM 27 O LIG 1 4.920 2.820 1.619 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.037 -1.681 -0.722 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -1.956 -2.437 -2.052 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.359 -2.585 0.484 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.767 -3.139 0.458 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.857 -2.312 0.770 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -6.151 -2.823 0.737 0.00 0.00 +0.159 A ATOM 34 F LIG 1 -7.181 -2.020 1.034 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -6.374 -4.151 0.396 0.00 0.00 +0.158 A ATOM 36 F LIG 1 -7.621 -4.640 0.362 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -5.305 -4.985 0.085 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -4.002 -4.480 0.116 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7