REMARK Name = BDB063671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.327 -2.175 -0.867 0.00 0.00 +0.145 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.748 -1.893 -0.494 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -2.231 -2.184 0.778 0.00 0.00 +0.131 A ATOM 4 F LIG 1 -1.420 -2.746 1.686 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -3.550 -1.908 1.143 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.436 -1.316 0.230 0.00 0.00 -0.012 A ATOM 7 C LIG 1 -3.949 -1.014 -1.051 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -2.627 -1.299 -1.397 0.00 0.00 +0.131 A ATOM 9 F LIG 1 -2.207 -0.986 -2.631 0.00 0.00 -0.205 F BRANCH 6 10 ATOM 10 C LIG 1 -5.830 -1.026 0.603 0.00 0.00 -0.016 A ATOM 11 C LIG 1 -6.130 -0.290 1.760 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -7.462 -0.042 2.114 0.00 0.00 +0.122 A ATOM 13 C LIG 1 -8.516 -0.508 1.327 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -8.230 -1.234 0.173 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -6.901 -1.489 -0.183 0.00 0.00 +0.008 A BRANCH 12 16 ATOM 16 S LIG 1 -7.786 0.886 3.585 0.00 0.00 +0.147 S ATOM 17 F LIG 1 -6.953 2.235 3.452 0.00 0.00 -0.056 F ATOM 18 O LIG 1 -7.196 0.160 4.690 0.00 0.00 -0.138 OA ATOM 19 O LIG 1 -9.178 1.291 3.579 0.00 0.00 -0.138 OA ENDBRANCH 12 16 ENDBRANCH 6 10 ENDBRANCH 1 2 BRANCH 1 21 ATOM 20 C LIG 1 1.849 -1.039 -0.949 0.00 0.00 +0.268 C ATOM 21 N LIG 1 0.545 -1.084 -0.504 0.00 0.00 -0.306 N ATOM 22 H LIG 1 0.235 -0.402 0.187 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.328 -1.859 -1.721 0.00 0.00 -0.268 OA BRANCH 20 28 ATOM 24 C LIG 1 5.144 3.527 0.404 0.00 0.00 +0.066 C ATOM 25 C LIG 1 4.262 2.306 0.277 0.00 0.00 +0.044 A ATOM 26 N LIG 1 4.780 1.101 -0.221 0.00 0.00 -0.236 N ATOM 27 N LIG 1 3.978 0.073 -0.663 0.00 0.00 -0.158 NA ATOM 28 C LIG 1 2.699 0.119 -0.419 0.00 0.00 +0.192 A ATOM 29 C LIG 1 2.107 1.275 0.347 0.00 0.00 +0.213 A ATOM 30 O LIG 1 0.951 1.237 0.748 0.00 0.00 -0.285 OA ATOM 31 C LIG 1 2.961 2.444 0.571 0.00 0.00 +0.076 A BRANCH 26 32 ATOM 32 C LIG 1 6.174 0.820 -0.377 0.00 0.00 +0.066 A ATOM 33 C LIG 1 6.646 0.192 -1.543 0.00 0.00 +0.028 A ATOM 34 C LIG 1 8.003 -0.095 -1.715 0.00 0.00 +0.002 A ATOM 35 C LIG 1 8.914 0.230 -0.715 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.466 0.823 0.461 0.00 0.00 +0.002 A ATOM 37 C LIG 1 7.108 1.108 0.631 0.00 0.00 +0.028 A ENDBRANCH 26 32 ENDBRANCH 20 28 ENDBRANCH 1 21 TORSDOF 6