REMARK Name = BDB045397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.892 2.949 -1.038 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -2.846 1.997 -1.819 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -3.766 2.791 -2.780 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -4.197 4.071 -2.219 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -4.889 4.515 -2.821 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -3.087 4.982 -1.956 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -1.735 4.289 -1.773 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.018 1.216 -0.228 0.00 0.00 -0.022 A ATOM 9 C LIG 1 1.550 1.314 -1.543 0.00 0.00 +0.006 A ATOM 10 C LIG 1 0.297 1.871 -1.813 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -0.518 2.341 -0.773 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -0.035 2.263 0.541 0.00 0.00 +0.004 A ATOM 13 C LIG 1 1.216 1.706 0.810 0.00 0.00 +0.006 A BRANCH 8 14 ATOM 14 C LIG 1 3.375 0.626 0.066 0.00 0.00 +0.195 C BRANCH 14 15 ATOM 15 O LIG 1 3.316 -0.350 1.106 0.00 0.00 -0.375 OA BRANCH 15 16 ATOM 16 C LIG 1 2.813 -1.619 0.704 0.00 0.00 +0.163 C BRANCH 16 17 ATOM 17 C LIG 1 3.781 -2.445 -0.148 0.00 0.00 +0.069 C BRANCH 17 18 ATOM 18 C LIG 1 5.173 -2.572 0.470 0.00 0.00 +0.231 C BRANCH 18 19 ATOM 19 O LIG 1 5.917 -1.386 0.192 0.00 0.00 -0.492 OA BRANCH 19 23 ATOM 20 C LIG 1 9.790 -0.882 1.637 0.00 0.00 +0.000 A ATOM 21 C LIG 1 9.148 -2.096 1.877 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.846 -2.310 1.412 0.00 0.00 +0.045 A ATOM 23 C LIG 1 7.182 -1.307 0.704 0.00 0.00 +0.121 A ATOM 24 C LIG 1 7.833 -0.094 0.465 0.00 0.00 +0.045 A ATOM 25 C LIG 1 9.132 0.121 0.930 0.00 0.00 +0.004 A ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -3.692 1.236 -0.936 0.00 0.00 -0.370 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.000 0.236 -0.191 0.00 0.00 +0.195 C BRANCH 27 28 ATOM 28 C LIG 1 -3.954 -0.796 0.367 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -5.272 -0.926 -0.097 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.135 -1.911 0.416 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -5.664 -2.794 1.413 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -6.527 -3.777 1.924 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -7.838 -3.889 1.458 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.302 -3.019 0.476 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.344 -2.668 1.870 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -7.457 -2.037 -0.042 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -3.500 -1.683 1.351 0.00 0.00 +0.006 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11