REMARK Name = BDB034204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.173 -0.118 0.716 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.545 -0.438 -0.583 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.607 -0.869 -0.984 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.378 -0.178 -1.433 0.00 0.00 +0.045 A ATOM 5 C LIG 1 3.250 -0.283 -2.803 0.00 0.00 +0.017 A ATOM 6 C LIG 1 2.001 0.021 -3.353 0.00 0.00 +0.049 A ATOM 7 C LIG 1 0.914 0.416 -2.541 0.00 0.00 +0.156 A ATOM 8 C LIG 1 1.091 0.496 -1.154 0.00 0.00 +0.170 A ATOM 9 F LIG 1 0.099 0.834 -0.321 0.00 0.00 -0.201 F ATOM 10 C LIG 1 2.325 0.202 -0.611 0.00 0.00 +0.021 A ATOM 11 C LIG 1 2.752 0.192 0.813 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 7.817 -2.402 4.161 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 7.013 -1.826 3.433 0.00 0.00 +0.219 C ATOM 14 N LIG 1 5.921 -2.485 2.926 0.00 0.00 -0.255 N ATOM 15 H LIG 1 5.848 -3.466 3.160 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 4.870 -1.956 2.214 0.00 0.00 +0.240 C ATOM 17 O LIG 1 3.886 -2.647 1.951 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 4.957 -0.454 1.900 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.416 -0.007 1.822 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.118 -0.350 3.126 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 O LIG 1 -0.225 0.666 -3.254 0.00 0.00 -0.484 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.391 1.197 -2.592 0.00 0.00 +0.191 C ATOM 23 C LIG 1 -2.255 0.037 -2.010 0.00 0.00 +0.097 C ATOM 24 C LIG 1 -2.608 -0.940 -3.167 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -2.818 -0.282 -4.536 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -3.196 1.186 -4.438 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -2.170 2.005 -3.652 0.00 0.00 +0.046 C BRANCH 23 28 ATOM 28 N LIG 1 -3.495 0.531 -1.354 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -4.126 -0.523 -0.515 0.00 0.00 +0.094 C ATOM 30 C LIG 1 -3.428 0.049 0.738 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -3.216 1.312 -0.123 0.00 0.00 +0.094 C BRANCH 30 32 ATOM 32 C LIG 1 -4.235 0.157 2.103 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -5.497 0.778 2.195 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -6.197 0.867 3.402 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.652 0.332 4.563 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.409 -0.289 4.514 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.717 -0.373 3.302 0.00 0.00 +0.004 A ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5