REMARK Name = BDB026047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.654 -0.808 0.077 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.176 -2.129 0.075 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.037 -3.158 0.065 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.186 -2.429 0.074 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.128 -1.401 0.074 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.673 -0.062 0.068 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.696 0.224 0.076 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.520 -1.636 0.091 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.016 -2.104 1.408 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.428 -2.775 1.335 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.307 -4.306 1.378 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.237 -2.274 0.213 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.645 -2.622 0.258 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.581 -2.341 -1.113 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.088 -3.455 -2.041 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.022 -2.409 -1.056 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.806 0.067 0.077 0.00 0.00 +0.218 A ATOM 18 N LIG 1 5.352 -0.936 0.845 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 4.025 -1.198 0.826 0.00 0.00 +0.124 A ATOM 20 C LIG 1 3.094 -0.507 0.077 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.665 0.502 -0.672 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.984 0.801 -0.689 0.00 0.00 -0.222 NA BRANCH 17 28 ATOM 23 C LIG 1 9.330 2.664 -0.007 0.00 0.00 +0.039 C ATOM 24 C LIG 1 9.123 1.482 -0.953 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.946 0.360 -0.580 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 9.482 -0.284 0.616 0.00 0.00 +0.179 C ATOM 27 C LIG 1 8.024 -0.748 0.498 0.00 0.00 +0.136 C ATOM 28 N LIG 1 7.167 0.378 0.103 0.00 0.00 -0.295 N ATOM 29 C LIG 1 7.637 1.087 -1.097 0.00 0.00 +0.139 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.688 0.917 0.035 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.617 0.497 -0.016 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.560 2.281 0.037 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.524 2.930 0.125 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.878 2.982 0.001 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.819 2.907 -1.107 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.982 3.579 -1.018 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.320 4.394 0.180 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -6.402 4.972 0.215 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.351 4.435 1.177 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -4.589 5.229 2.373 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.157 3.738 1.074 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.462 2.128 -2.335 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -2.207 2.412 -2.768 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.498 0.792 -2.089 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6