REMARK Name = BDB021484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.716 -1.151 -0.883 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -3.177 0.068 -0.475 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.785 0.254 -0.329 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -1.507 1.526 0.086 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.156 1.910 0.315 0.00 0.00 +0.248 C ATOM 6 C LIG 1 0.712 1.638 -0.901 0.00 0.00 +0.149 C ATOM 7 N LIG 1 1.318 0.319 -0.800 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.573 -0.819 -0.508 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.124 -1.874 -0.190 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.916 -0.808 -0.609 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -1.474 -2.038 -1.014 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.853 -2.206 -1.153 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -5.040 -1.435 -1.055 0.00 0.00 -0.483 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.974 -0.409 -0.738 0.00 0.00 +0.324 C BRANCH 14 16 ATOM 15 N LIG 1 -8.441 0.001 -0.582 0.00 0.00 -0.299 N ATOM 16 C LIG 1 -7.419 -0.879 -0.961 0.00 0.00 +0.253 C ATOM 17 O LIG 1 -7.671 -1.977 -1.463 0.00 0.00 -0.272 OA BRANCH 15 19 ATOM 18 C LIG 1 -10.273 -1.426 0.329 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -9.824 -0.452 -0.751 0.00 0.00 +0.104 C ENDBRANCH 15 19 BRANCH 15 20 ATOM 20 C LIG 1 -8.221 1.295 0.069 0.00 0.00 +0.104 C ATOM 21 C LIG 1 -8.244 1.209 1.586 0.00 0.00 +0.024 C ENDBRANCH 15 20 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 2.775 0.255 -0.605 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 3.180 0.498 0.859 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 3.063 1.903 1.164 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 3.980 2.244 1.090 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.617 0.036 1.204 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 5.658 1.012 0.794 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.871 0.868 1.631 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.869 -0.134 1.105 0.00 0.00 -0.030 A ATOM 30 C LIG 1 8.188 -0.066 -0.261 0.00 0.00 -0.042 A ATOM 31 C LIG 1 9.161 -0.908 -0.800 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.803 -1.833 0.023 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.482 -1.910 1.381 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.440 0.956 -1.073 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.520 -1.057 1.925 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.955 0.931 -0.660 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 10