REMARK Name = BDB065259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.125 -0.143 -0.491 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.210 -0.310 -0.114 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.851 0.841 -0.539 0.00 0.00 +0.090 A ATOM 4 C LIG 1 3.226 1.009 -0.322 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.939 -0.007 0.330 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.280 -1.170 0.743 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.971 1.679 -1.151 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 1.906 -1.346 0.529 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.221 1.100 -1.107 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.361 0.147 0.555 0.00 0.00 +0.047 A ATOM 11 C LIG 1 5.973 0.117 1.789 0.00 0.00 +0.142 A ATOM 12 C LIG 1 5.508 -0.058 3.179 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.311 0.305 1.629 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.600 0.476 0.288 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 6.428 0.383 -0.352 0.00 0.00 +0.088 A ATOM 16 C LIG 1 6.376 0.518 -1.826 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 17 C LIG 1 -2.960 -3.372 -0.193 0.00 0.00 +0.118 C ATOM 18 C LIG 1 -2.367 -3.046 -1.565 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -1.074 -2.228 -1.457 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -1.094 -1.222 -0.288 0.00 0.00 +0.089 C ATOM 21 C LIG 1 -2.518 -0.856 0.127 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -3.321 -2.089 0.575 0.00 0.00 +0.033 C BRANCH 17 24 ATOM 23 C LIG 1 -2.522 -4.988 1.502 0.00 0.00 +0.194 C ATOM 24 O LIG 1 -1.966 -4.109 0.530 0.00 0.00 -0.380 OA ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 9 25 ATOM 25 C LIG 1 -1.407 1.825 -1.693 0.00 0.00 +0.148 C ATOM 26 N LIG 1 -2.510 2.107 -0.796 0.00 0.00 -0.261 N ATOM 27 C LIG 1 -3.723 2.065 -1.514 0.00 0.00 +0.220 C ATOM 28 O LIG 1 -4.853 2.318 -1.125 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 -3.419 1.710 -2.950 0.00 0.00 +0.098 C ATOM 30 C LIG 1 -2.027 1.117 -2.884 0.00 0.00 +0.040 C BRANCH 26 31 ATOM 31 C LIG 1 -2.385 2.720 0.487 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -3.468 2.747 1.380 0.00 0.00 +0.064 A ATOM 33 C LIG 1 -3.339 3.325 2.643 0.00 0.00 +0.160 A ATOM 34 F LIG 1 -4.388 3.317 3.478 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -2.139 3.892 3.040 0.00 0.00 +0.159 A ATOM 36 F LIG 1 -2.017 4.444 4.255 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -1.054 3.887 2.179 0.00 0.00 +0.043 A ATOM 38 C LIG 1 -1.178 3.305 0.910 0.00 0.00 +0.026 A ENDBRANCH 26 31 ENDBRANCH 9 25 TORSDOF 5