REMARK Name = BDB026225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.343 -0.071 0.469 0.00 0.00 +0.019 A ATOM 2 C LIG 1 2.207 1.215 1.014 0.00 0.00 +0.133 A ATOM 3 F LIG 1 3.297 1.921 1.356 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.962 1.806 1.224 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.208 1.118 0.895 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.094 -0.183 0.346 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.163 -0.761 0.136 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.501 1.677 1.047 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -1.862 2.518 -0.129 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.137 3.358 0.173 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.688 3.963 -1.123 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -2.960 4.310 1.304 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -2.708 5.698 0.925 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -1.912 3.851 2.247 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -1.784 2.316 2.357 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 16 C LIG 1 6.212 -1.877 -0.181 0.00 0.00 +0.072 A ATOM 17 C LIG 1 5.946 -0.576 -0.606 0.00 0.00 +0.136 A ATOM 18 F LIG 1 6.885 0.156 -1.228 0.00 0.00 -0.205 F ATOM 19 C LIG 1 4.697 0.013 -0.398 0.00 0.00 +0.047 A ATOM 20 C LIG 1 3.666 -0.686 0.249 0.00 0.00 -0.012 A ATOM 21 C LIG 1 3.937 -1.997 0.676 0.00 0.00 +0.009 A ATOM 22 C LIG 1 5.191 -2.585 0.466 0.00 0.00 +0.016 A BRANCH 16 26 ATOM 23 C LIG 1 9.826 -2.395 -1.233 0.00 0.00 +0.128 C ATOM 24 N LIG 1 8.499 -1.860 -1.068 0.00 0.00 -0.314 N ATOM 25 H LIG 1 8.332 -0.895 -1.333 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 7.527 -2.550 -0.378 0.00 0.00 +0.247 C ATOM 27 O LIG 1 7.708 -3.676 0.074 0.00 0.00 -0.270 OA ENDBRANCH 16 26 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.315 -0.829 0.065 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.117 -0.255 0.318 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.521 -2.051 -0.522 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.679 -2.823 -0.963 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.969 -2.392 -0.655 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -3.573 -2.651 -1.953 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -4.874 -2.988 -2.015 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -5.702 -3.102 -0.784 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -6.884 -3.415 -0.888 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -5.045 -2.836 0.415 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -5.781 -2.946 1.666 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -3.702 -2.500 0.464 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.718 -2.504 -3.178 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.252 -1.229 -3.280 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -3.438 -2.721 -4.315 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 6