REMARK Name = BDB006400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.351 -4.782 -0.843 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.146 -3.510 -0.094 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.015 -2.376 -0.092 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.444 -1.403 0.731 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.053 -0.151 0.933 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.271 0.108 0.295 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.871 -0.856 -0.517 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.743 -1.929 1.216 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.243 -2.091 -0.728 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.927 -3.211 0.733 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.115 -4.046 1.073 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -4.168 -0.604 -1.204 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -5.043 0.241 -0.556 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.856 0.507 0.400 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.424 -1.154 -2.269 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.370 0.514 -1.081 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -7.324 -0.654 -0.811 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.861 1.838 -0.518 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.705 3.008 -1.284 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -7.118 4.246 -0.788 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -7.679 4.323 0.480 0.00 0.00 +0.123 A ATOM 22 F LIG 1 -8.073 5.510 0.958 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -7.831 3.186 1.263 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -7.418 1.946 0.769 0.00 0.00 +0.008 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 1.638 -1.241 2.149 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 2.893 -0.717 1.492 0.00 0.00 -0.028 A ATOM 27 C LIG 1 2.844 0.072 0.335 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.017 0.572 -0.239 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.269 0.308 0.334 0.00 0.00 -0.017 A ATOM 30 C LIG 1 5.315 -0.473 1.497 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.143 -0.973 2.074 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.503 0.823 -0.279 0.00 0.00 -0.004 A ATOM 33 C LIG 1 6.840 2.191 -0.313 0.00 0.00 +0.067 A ATOM 34 C LIG 1 7.990 2.634 -0.985 0.00 0.00 +0.015 A ATOM 35 C LIG 1 8.838 1.716 -1.603 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.536 0.359 -1.559 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.380 -0.082 -0.907 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 6.015 3.233 0.329 0.00 0.00 +0.337 C ATOM 39 O LIG 1 5.661 4.277 -0.186 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 5.766 2.954 1.620 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 5.238 3.716 1.933 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 8