REMARK Name = BDB024043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.593 0.250 -0.040 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.778 0.633 1.285 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.732 1.512 1.624 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.030 0.106 2.287 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.049 -0.791 1.959 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.281 -1.153 0.622 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.442 -0.633 -0.375 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 -6.702 1.066 0.400 0.00 0.00 +0.081 C ATOM 9 P LIG 1 -5.949 0.555 -1.131 0.00 0.00 +0.089 P ATOM 10 C LIG 1 -4.896 1.903 -1.643 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -3.564 1.378 -2.146 0.00 0.00 +0.115 C ATOM 12 N LIG 1 -2.803 0.688 -1.096 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -1.410 0.819 -1.127 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.802 1.371 -2.043 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -3.510 -0.204 -0.165 0.00 0.00 +0.115 C ATOM 16 C LIG 1 -4.808 -0.758 -0.724 0.00 0.00 +0.088 C ATOM 17 O LIG 1 -6.954 0.150 -2.170 0.00 0.00 -0.321 OA ENDBRANCH 1 13 BRANCH 6 18 ATOM 18 C LIG 1 2.394 -2.110 0.256 0.00 0.00 +0.093 C BRANCH 18 19 ATOM 19 C LIG 1 3.745 -1.718 0.843 0.00 0.00 +0.074 A ATOM 20 C LIG 1 4.538 -0.623 0.226 0.00 0.00 +0.011 A ATOM 21 C LIG 1 5.757 -0.308 0.824 0.00 0.00 +0.050 A ATOM 22 C LIG 1 6.564 0.713 0.307 0.00 0.00 +0.014 A ATOM 23 C LIG 1 6.146 1.425 -0.816 0.00 0.00 +0.001 A ATOM 24 C LIG 1 4.928 1.115 -1.418 0.00 0.00 +0.001 A ATOM 25 C LIG 1 6.193 -1.063 2.009 0.00 0.00 +0.272 A ATOM 26 O LIG 1 7.258 -0.822 2.567 0.00 0.00 -0.266 OA ATOM 27 N LIG 1 5.340 -2.046 2.448 0.00 0.00 -0.242 N ATOM 28 H LIG 1 5.627 -2.579 3.263 0.00 0.00 +0.192 HD ATOM 29 C LIG 1 4.124 0.094 -0.903 0.00 0.00 +0.010 A ATOM 30 N LIG 1 4.144 -2.376 1.893 0.00 0.00 -0.175 NA ENDBRANCH 18 19 ENDBRANCH 6 18 TORSDOF 3