REMARK Name = BDB027114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.548 -0.375 -1.721 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.123 -1.541 -2.440 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.098 -2.848 -1.965 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.491 -3.948 -2.589 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.300 -3.763 -3.706 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.511 -2.480 -4.205 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.921 -1.376 -3.583 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 1.971 -0.304 -2.162 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 1.950 0.109 -3.100 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 2.806 0.546 -1.304 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 3.210 -0.145 0.006 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 5.756 2.407 2.384 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.318 1.510 1.471 0.00 0.00 +0.019 A ATOM 14 C LIG 1 5.494 0.681 0.705 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.101 0.738 0.848 0.00 0.00 -0.046 A ATOM 16 C LIG 1 3.543 1.643 1.761 0.00 0.00 +0.005 A ATOM 17 C LIG 1 4.367 2.472 2.527 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 7.283 3.947 3.809 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 6.600 3.258 3.171 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.158 0.983 -1.961 0.00 0.00 +0.186 C ATOM 21 O LIG 1 0.189 1.697 -2.911 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 -1.209 1.446 -1.043 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -1.982 0.765 -0.036 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -2.819 1.716 0.557 0.00 0.00 +0.047 A ATOM 25 C LIG 1 -3.711 1.419 1.597 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -3.778 0.098 2.061 0.00 0.00 -0.035 A ATOM 27 C LIG 1 -2.974 -0.880 1.472 0.00 0.00 +0.005 A ATOM 28 N LIG 1 -2.598 2.914 -0.078 0.00 0.00 -0.360 N ATOM 29 H LIG 1 -3.087 3.774 0.132 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 -2.083 -0.562 0.436 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -1.642 2.764 -1.038 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 -4.735 -0.268 3.173 0.00 0.00 +0.155 C BRANCH 32 33 ATOM 33 C LIG 1 -6.166 -0.436 2.722 0.00 0.00 +0.309 C ATOM 34 O LIG 1 -6.670 -0.116 1.660 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.932 -0.990 3.689 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -7.823 -1.035 3.280 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 11