REMARK Name = BDB006436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.311 -3.287 -3.267 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.391 -1.963 -2.589 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.547 -1.431 -1.651 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.087 -0.172 -1.257 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.785 0.612 -0.321 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.978 0.111 0.212 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.469 -1.135 -0.182 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.099 0.056 -1.935 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.752 -1.917 -1.099 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.393 -1.018 -2.754 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.610 -1.075 -3.615 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.738 -1.688 0.369 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.693 -0.765 0.738 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.586 0.191 0.430 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.906 -2.900 0.443 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.008 -1.178 1.203 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.954 -1.724 2.633 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.979 -0.016 1.075 0.00 0.00 -0.025 A ATOM 19 C LIG 1 -6.878 1.122 1.891 0.00 0.00 +0.043 A ATOM 20 C LIG 1 -7.770 2.178 1.732 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -7.659 3.256 2.519 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -8.769 2.135 0.768 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -8.877 1.017 -0.055 0.00 0.00 +0.003 A ATOM 24 C LIG 1 -7.985 -0.050 0.095 0.00 0.00 +0.005 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 1.891 1.284 -1.835 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.151 1.118 -1.019 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.141 0.507 0.242 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.318 0.394 0.991 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.536 0.896 0.510 0.00 0.00 -0.018 A ATOM 30 C LIG 1 5.537 1.518 -0.747 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.363 1.633 -1.499 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.773 0.775 1.300 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.835 1.236 2.625 0.00 0.00 +0.008 A ATOM 34 C LIG 1 8.009 1.123 3.375 0.00 0.00 +0.001 A ATOM 35 C LIG 1 9.143 0.543 2.811 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.103 0.078 1.499 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.929 0.194 0.750 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 6