REMARK Name = BDB036158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.616 -1.654 -2.258 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -2.384 -2.236 -1.947 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -2.158 -3.536 -2.248 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -3.175 -4.192 -2.827 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -4.380 -3.671 -3.130 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -4.610 -2.374 -2.830 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.351 -1.535 -1.293 0.00 0.00 -0.310 N ATOM 8 C LIG 1 0.039 -1.893 -1.320 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.336 -0.472 -0.775 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.478 0.259 -1.471 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.819 -0.382 -1.088 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.825 -0.965 0.254 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.937 -0.293 1.193 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.468 -0.381 0.754 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.074 -0.130 -1.312 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 4.152 -1.317 0.772 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.906 -0.280 1.643 0.00 0.00 +0.006 C ATOM 18 C LIG 1 6.144 -0.896 2.355 0.00 0.00 -0.006 C ATOM 19 C LIG 1 7.316 -1.069 1.365 0.00 0.00 +0.015 C ATOM 20 C LIG 1 7.806 0.307 0.853 0.00 0.00 +0.018 C ATOM 21 C LIG 1 6.785 1.401 1.323 0.00 0.00 -0.001 C ATOM 22 C LIG 1 6.761 1.489 2.865 0.00 0.00 +0.004 C ATOM 23 C LIG 1 9.243 0.623 1.285 0.00 0.00 +0.131 C ATOM 24 C LIG 1 9.715 1.542 0.198 0.00 0.00 +0.308 C ATOM 25 O LIG 1 10.660 2.309 0.274 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 8.951 1.364 -0.917 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 8.016 0.314 -0.663 0.00 0.00 +0.239 C ATOM 28 C LIG 1 6.590 0.085 3.459 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.356 0.987 0.883 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.849 -0.339 -1.900 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -5.526 1.337 -1.788 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -4.815 0.393 -2.549 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -5.038 0.322 -3.930 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -5.974 1.169 -4.529 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.649 2.112 -3.759 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -7.517 2.943 -4.349 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.419 2.223 -2.396 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -5.940 0.927 0.646 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -5.191 1.535 -0.373 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -4.219 2.264 -0.174 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -6.495 1.784 2.938 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.444 1.144 2.028 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -4.875 -0.145 2.627 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -7.127 0.044 0.480 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -6.862 -1.227 -0.322 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -8.370 0.782 -0.014 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8