REMARK Name = BDB019800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.993 -1.430 2.108 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -2.289 -1.885 1.878 0.00 0.00 +0.186 A ATOM 3 C LIG 1 -3.092 -1.991 2.998 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -2.708 -1.655 4.244 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -1.452 -1.205 4.347 0.00 0.00 +0.223 A ATOM 6 N LIG 1 -0.566 -1.089 3.346 0.00 0.00 -0.217 NA ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 4.407 -0.532 -1.708 0.00 0.00 +0.233 C ATOM 8 N LIG 1 3.288 -0.423 -0.923 0.00 0.00 -0.299 N ATOM 9 C LIG 1 1.992 -1.069 -1.150 0.00 0.00 +0.119 C ATOM 10 C LIG 1 1.762 -0.867 0.316 0.00 0.00 +0.034 C ATOM 11 C LIG 1 1.235 -1.995 1.139 0.00 0.00 +0.118 C ATOM 12 N LIG 1 -0.067 -1.344 1.034 0.00 0.00 -0.311 N ATOM 13 C LIG 1 0.586 -0.063 0.764 0.00 0.00 +0.118 C ATOM 14 C LIG 1 3.146 -0.355 0.532 0.00 0.00 +0.119 C ATOM 15 O LIG 1 4.363 -0.993 -2.852 0.00 0.00 -0.274 OA BRANCH 7 19 ATOM 16 C LIG 1 7.062 2.734 0.782 0.00 0.00 +0.008 C ATOM 17 C LIG 1 7.011 1.944 -0.298 0.00 0.00 -0.070 C ATOM 18 C LIG 1 5.728 1.536 -1.009 0.00 0.00 +0.040 C ATOM 19 C LIG 1 5.722 -0.014 -1.090 0.00 0.00 +0.148 C ATOM 20 N LIG 1 6.891 -0.532 -1.877 0.00 0.00 -0.302 NA ATOM 21 H LIG 1 6.512 -0.950 -2.736 0.00 0.00 +0.123 HD ATOM 22 C LIG 1 7.788 0.589 -2.244 0.00 0.00 +0.058 C ATOM 23 C LIG 1 7.017 1.549 -3.171 0.00 0.00 +0.019 C ATOM 24 C LIG 1 5.799 2.127 -2.431 0.00 0.00 +0.011 C ATOM 25 C LIG 1 8.235 1.347 -0.965 0.00 0.00 +0.049 C ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 2 26 ATOM 26 O LIG 1 -2.828 -2.314 0.691 0.00 0.00 -0.450 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.579 -1.582 -0.445 0.00 0.00 +0.141 A ATOM 28 C LIG 1 -2.938 -0.237 -0.613 0.00 0.00 +0.082 A ATOM 29 C LIG 1 -2.635 0.435 -1.802 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -2.023 -0.263 -2.834 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -1.740 0.370 -3.979 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -1.706 -1.611 -2.703 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -1.990 -2.275 -1.509 0.00 0.00 +0.050 A BRANCH 28 34 ATOM 34 C LIG 1 -3.603 0.534 0.449 0.00 0.00 +0.251 C ATOM 35 N LIG 1 -4.957 0.284 0.755 0.00 0.00 -0.292 N ATOM 36 O LIG 1 -2.906 1.371 1.021 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -5.846 -0.459 -0.183 0.00 0.00 +0.070 C ATOM 38 C LIG 1 -6.981 0.385 -0.763 0.00 0.00 +0.028 C ATOM 39 C LIG 1 -6.359 -1.785 0.379 0.00 0.00 +0.028 C ENDBRANCH 35 37 BRANCH 35 40 ATOM 40 C LIG 1 -5.480 1.046 1.918 0.00 0.00 +0.070 C ATOM 41 C LIG 1 -6.572 0.358 2.731 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.891 2.475 1.545 0.00 0.00 +0.028 C ENDBRANCH 35 40 ENDBRANCH 28 34 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 7