REMARK Name = BDB060788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.425 0.046 -0.416 0.00 0.00 +0.103 C ATOM 2 C LIG 1 0.805 -0.453 -1.210 0.00 0.00 +0.135 C ATOM 3 C LIG 1 2.202 -0.170 -0.703 0.00 0.00 +0.006 A ATOM 4 C LIG 1 2.880 0.643 -1.617 0.00 0.00 +0.039 A ATOM 5 C LIG 1 4.178 1.072 -1.424 0.00 0.00 +0.026 A ATOM 6 C LIG 1 4.833 0.653 -0.263 0.00 0.00 +0.034 A ATOM 7 C LIG 1 4.172 -0.189 0.659 0.00 0.00 +0.127 A ATOM 8 N LIG 1 2.075 0.919 -2.708 0.00 0.00 -0.283 N ATOM 9 H LIG 1 2.332 1.475 -3.511 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 2.849 -0.612 0.445 0.00 0.00 +0.040 A ATOM 11 C LIG 1 0.831 0.317 -2.589 0.00 0.00 +0.243 C ATOM 12 O LIG 1 -0.073 0.390 -3.409 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 0.608 -1.899 -1.479 0.00 0.00 -0.288 NA ATOM 14 H LIG 1 0.989 -2.447 -0.704 0.00 0.00 +0.124 HD ATOM 15 C LIG 1 -0.879 -2.099 -1.500 0.00 0.00 +0.168 C ATOM 16 C LIG 1 -1.360 -1.190 -0.353 0.00 0.00 +0.058 C ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 0.596 2.762 3.841 0.00 0.00 +0.071 C ATOM 18 C LIG 1 0.306 1.746 2.800 0.00 0.00 +0.111 A ATOM 19 C LIG 1 0.103 1.911 1.408 0.00 0.00 +0.191 A ATOM 20 C LIG 1 -0.128 0.637 0.929 0.00 0.00 +0.174 A ATOM 21 O LIG 1 -0.045 -0.232 1.976 0.00 0.00 -0.357 OA ATOM 22 N LIG 1 0.227 0.453 3.138 0.00 0.00 -0.081 NA BRANCH 19 23 ATOM 23 N LIG 1 0.148 3.115 0.646 0.00 0.00 +0.062 N ATOM 24 O LIG 1 0.074 4.180 1.268 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 0.284 3.000 -0.578 0.00 0.00 -0.126 OA ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 16 26 ATOM 26 C LIG 1 -2.824 -0.798 -0.402 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -3.624 -0.977 0.738 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -4.971 -0.612 0.727 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.535 -0.058 -0.419 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.752 0.133 -1.555 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.405 -0.232 -1.548 0.00 0.00 +0.004 A ENDBRANCH 16 26 BRANCH 15 32 ATOM 32 C LIG 1 -1.351 -3.558 -1.307 0.00 0.00 +0.405 C ATOM 33 F LIG 1 -0.901 -4.353 -2.304 0.00 0.00 -0.169 F ATOM 34 F LIG 1 -0.873 -4.060 -0.143 0.00 0.00 -0.169 F ATOM 35 F LIG 1 -2.695 -3.662 -1.280 0.00 0.00 -0.169 F ENDBRANCH 15 32 BRANCH 7 36 ATOM 36 N LIG 1 4.885 -0.633 1.865 0.00 0.00 +0.056 N ATOM 37 O LIG 1 5.954 -0.072 2.139 0.00 0.00 -0.126 OA ATOM 38 O LIG 1 4.370 -1.539 2.534 0.00 0.00 -0.126 OA ENDBRANCH 7 36 TORSDOF 5