REMARK Name = BDB006361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.175 -0.501 0.137 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.188 0.740 -0.518 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.076 1.123 -1.297 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.217 2.277 -2.070 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.464 2.106 -2.619 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.966 0.904 -2.179 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -1.022 0.263 -1.395 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -1.042 -0.983 -0.745 0.00 0.00 +0.027 A ATOM 9 C LIG 1 0.066 -1.343 0.030 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 3.564 -0.517 0.582 0.00 0.00 -0.305 N ATOM 11 H LIG 1 3.671 -0.079 -0.323 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 2.316 -0.939 0.984 0.00 0.00 +0.245 C ATOM 13 O LIG 1 2.119 -1.651 1.961 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 4.779 -0.917 1.275 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 5.826 -1.294 0.235 0.00 0.00 -0.027 A ATOM 16 C LIG 1 5.977 -2.644 -0.124 0.00 0.00 +0.005 A ATOM 17 C LIG 1 6.904 -3.028 -1.094 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.687 -2.066 -1.728 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.538 -0.722 -1.397 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.611 -0.336 -0.426 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 4.347 0.360 3.450 0.00 0.00 +0.006 C ATOM 22 C LIG 1 5.260 0.184 2.243 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -3.275 0.370 -2.554 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -4.416 1.304 -2.200 0.00 0.00 -0.020 A ATOM 25 C LIG 1 -4.901 1.451 -0.879 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -5.948 2.361 -0.638 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -6.513 3.107 -1.672 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.042 2.956 -2.970 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.003 2.064 -3.233 0.00 0.00 +0.006 A BRANCH 25 30 ATOM 30 C LIG 1 -4.370 0.681 0.252 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -4.865 -0.601 0.535 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -4.346 -1.335 1.610 0.00 0.00 +0.059 A ATOM 33 C LIG 1 -3.319 -0.811 2.397 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -2.835 0.469 2.133 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -3.363 1.211 1.073 0.00 0.00 +0.008 A BRANCH 32 36 ATOM 36 C LIG 1 -4.846 -2.694 1.903 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -4.117 -3.641 2.131 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.194 -2.757 1.916 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -6.638 -1.889 1.877 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9