REMARK Name = BDB035179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.012 0.583 -0.389 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.954 0.339 -1.710 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 -2.629 0.191 -1.887 0.00 0.00 -0.201 N ATOM 4 C LIG 1 -1.940 0.319 -0.717 0.00 0.00 +0.163 A ATOM 5 C LIG 1 -0.521 0.175 -0.774 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -0.018 -0.083 -2.008 0.00 0.00 +0.120 A ATOM 7 N LIG 1 -0.741 -0.216 -3.183 0.00 0.00 -0.243 NA ATOM 8 C LIG 1 -2.033 -0.075 -3.105 0.00 0.00 +0.225 A ATOM 9 N LIG 1 -2.791 0.552 0.258 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.853 2.032 0.400 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.242 0.790 0.334 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.859 -0.245 1.032 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.003 -0.026 1.732 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.509 1.216 1.721 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.989 2.272 1.088 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.280 -1.650 1.072 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.390 -2.546 -0.141 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -6.197 -2.853 1.083 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -5.927 4.330 -0.103 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.250 3.087 -0.264 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 0.320 0.316 0.484 0.00 0.00 +0.075 C BRANCH 21 22 ATOM 22 C LIG 1 1.813 0.119 0.348 0.00 0.00 -0.040 A ATOM 23 C LIG 1 2.387 -1.144 0.545 0.00 0.00 +0.043 A ATOM 24 C LIG 1 3.764 -1.320 0.407 0.00 0.00 +0.134 A ATOM 25 F LIG 1 4.263 -2.551 0.594 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.604 -0.254 0.074 0.00 0.00 +0.053 A ATOM 27 C LIG 1 4.023 1.003 -0.149 0.00 0.00 +0.014 A ATOM 28 C LIG 1 2.644 1.192 -0.006 0.00 0.00 +0.005 A BRANCH 26 29 ATOM 29 C LIG 1 6.051 -0.409 -0.093 0.00 0.00 +0.144 A ATOM 30 N LIG 1 6.913 -1.046 0.777 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.600 -1.629 2.060 0.00 0.00 +0.150 C ATOM 32 C LIG 1 8.179 -0.963 0.262 0.00 0.00 +0.119 A ATOM 33 C LIG 1 8.067 -0.246 -0.914 0.00 0.00 +0.162 A ATOM 34 N LIG 1 6.738 0.109 -1.099 0.00 0.00 -0.223 NA BRANCH 33 35 ATOM 35 C LIG 1 9.146 0.133 -1.885 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.149 -0.665 -2.986 0.00 0.00 -0.164 F ATOM 37 F LIG 1 10.386 0.021 -1.329 0.00 0.00 -0.164 F ATOM 38 F LIG 1 9.039 1.415 -2.322 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7