REMARK Name = BDB006564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.184 3.443 -1.380 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.343 2.688 -0.409 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.724 1.514 0.313 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.643 1.143 1.115 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.698 0.028 1.967 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.870 -0.732 1.989 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.962 -0.397 1.187 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.372 2.056 0.879 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.904 0.736 0.359 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.041 2.998 -0.043 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.825 4.122 -0.502 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.176 -1.260 1.258 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.991 -1.266 0.148 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.679 -0.829 -0.706 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.393 -1.940 2.256 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.160 -2.126 0.063 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.765 -3.557 -0.312 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 7.163 -1.507 -0.896 0.00 0.00 -0.027 A ATOM 19 C LIG 1 8.245 -0.774 -0.377 0.00 0.00 +0.009 A ATOM 20 C LIG 1 9.186 -0.156 -1.217 0.00 0.00 -0.044 A ATOM 21 C LIG 1 9.025 -0.278 -2.603 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.951 -0.990 -3.134 0.00 0.00 +0.001 A ATOM 23 C LIG 1 7.023 -1.597 -2.288 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 10.364 0.622 -0.658 0.00 0.00 +0.013 C ATOM 25 C LIG 1 11.347 -0.306 0.058 0.00 0.00 +0.012 C ATOM 26 C LIG 1 9.916 1.758 0.267 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -1.663 2.044 1.571 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -2.551 0.891 1.163 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.211 0.143 2.148 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.044 -0.923 1.797 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -4.257 -1.263 0.453 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -3.606 -0.503 -0.530 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -2.771 0.564 -0.182 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -5.137 -2.388 0.087 0.00 0.00 -0.006 A ATOM 35 C LIG 1 -6.499 -2.460 0.452 0.00 0.00 +0.044 A ATOM 36 C LIG 1 -7.269 -3.595 0.152 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -6.704 -4.661 -0.544 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -5.370 -4.600 -0.936 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -4.596 -3.479 -0.620 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.202 -1.365 1.167 0.00 0.00 +0.245 C ATOM 41 N LIG 1 -7.140 -0.129 0.571 0.00 0.00 -0.310 N ATOM 42 H LIG 1 -6.513 -0.001 -0.213 0.00 0.00 +0.149 HD ATOM 43 O LIG 1 -7.818 -1.608 2.197 0.00 0.00 -0.270 OA BRANCH 41 44 ATOM 44 C LIG 1 -7.645 1.059 1.232 0.00 0.00 +0.120 C BRANCH 44 45 ATOM 45 C LIG 1 -8.119 2.150 0.248 0.00 0.00 +0.102 C BRANCH 45 46 ATOM 46 N LIG 1 -9.375 1.942 -0.495 0.00 0.00 -0.307 NA ATOM 47 C LIG 1 -10.534 1.830 0.391 0.00 0.00 +0.104 C ATOM 48 C LIG 1 -9.324 0.809 -1.414 0.00 0.00 +0.104 C ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 11