REMARK Name = BDB035181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.328 -0.425 0.867 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.139 -0.371 0.252 0.00 0.00 -0.144 NA ATOM 3 N LIG 1 -2.292 -0.003 1.247 0.00 0.00 -0.216 N ATOM 4 C LIG 1 -3.034 0.179 2.417 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.345 0.581 3.590 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.014 0.770 3.543 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.261 0.572 2.315 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.896 0.191 1.184 0.00 0.00 +0.049 A ATOM 9 N LIG 1 -4.303 -0.071 2.193 0.00 0.00 -0.207 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.747 -1.996 -0.426 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.561 -0.770 0.195 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -6.636 0.115 0.143 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.795 -0.228 -0.481 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.858 -1.438 -1.048 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.887 -2.353 -1.056 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -6.582 1.498 0.770 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -7.227 2.678 0.076 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.734 2.581 0.140 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -4.977 -4.118 -1.089 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -4.722 -2.923 -0.360 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 -0.253 -0.052 -0.162 0.00 0.00 +0.090 C BRANCH 21 22 ATOM 22 C LIG 1 1.250 0.120 -0.223 0.00 0.00 -0.042 A ATOM 23 C LIG 1 2.101 -0.960 0.049 0.00 0.00 +0.005 A ATOM 24 C LIG 1 3.489 -0.795 0.020 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.053 0.449 -0.287 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.200 1.532 -0.535 0.00 0.00 +0.012 A ATOM 27 C LIG 1 1.812 1.370 -0.509 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 5.502 0.661 -0.318 0.00 0.00 +0.142 A ATOM 29 N LIG 1 6.429 -0.139 -0.946 0.00 0.00 -0.327 N ATOM 30 C LIG 1 7.677 0.365 -0.735 0.00 0.00 +0.120 A ATOM 31 C LIG 1 7.484 1.525 -0.007 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.123 1.696 0.229 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 8.512 2.500 0.489 0.00 0.00 +0.436 C ATOM 34 F LIG 1 9.768 2.158 0.086 0.00 0.00 -0.164 F ATOM 35 F LIG 1 8.549 2.566 1.845 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.293 3.761 0.032 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 6.170 -1.357 -1.744 0.00 0.00 +0.089 C ATOM 38 C LIG 1 6.755 -1.550 -3.126 0.00 0.00 +0.027 C ATOM 39 C LIG 1 5.279 -1.350 -2.965 0.00 0.00 +0.027 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 8