REMARK Name = BDB035182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.950 0.559 -0.392 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.721 0.033 -0.500 0.00 0.00 -0.144 NA ATOM 3 N LIG 1 -1.936 0.955 0.115 0.00 0.00 -0.216 N ATOM 4 C LIG 1 -2.750 1.990 0.584 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.131 3.066 1.271 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.798 3.059 1.448 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.030 1.971 0.952 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.537 0.934 0.295 0.00 0.00 +0.049 A ATOM 9 N LIG 1 -4.004 1.752 0.283 0.00 0.00 -0.207 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.948 0.521 -1.851 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.138 -0.086 -0.903 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.541 -1.346 -0.466 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.660 -1.936 -0.968 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.361 -1.254 -1.882 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.064 -0.043 -2.357 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.771 -2.131 0.583 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.511 -2.919 1.641 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.774 -1.673 2.025 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.507 2.347 -3.225 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.563 1.758 -2.338 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.186 -0.264 -0.277 0.00 0.00 +0.090 C BRANCH 21 22 ATOM 22 C LIG 1 1.691 -0.278 -0.110 0.00 0.00 -0.039 A ATOM 23 C LIG 1 2.520 0.307 -1.075 0.00 0.00 +0.043 A ATOM 24 C LIG 1 3.904 0.317 -0.901 0.00 0.00 +0.134 A ATOM 25 F LIG 1 4.651 0.912 -1.843 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.501 -0.258 0.224 0.00 0.00 +0.053 A ATOM 27 C LIG 1 3.665 -0.823 1.198 0.00 0.00 +0.014 A ATOM 28 C LIG 1 2.276 -0.839 1.033 0.00 0.00 +0.005 A BRANCH 26 29 ATOM 29 C LIG 1 5.948 -0.244 0.450 0.00 0.00 +0.144 A ATOM 30 N LIG 1 6.927 -0.569 -0.466 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.751 -1.062 -1.812 0.00 0.00 +0.150 C ATOM 32 C LIG 1 8.148 -0.418 0.139 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.883 -0.038 1.441 0.00 0.00 +0.162 A ATOM 34 N LIG 1 6.509 0.041 1.614 0.00 0.00 -0.223 NA BRANCH 33 35 ATOM 35 C LIG 1 8.851 0.250 2.551 0.00 0.00 +0.436 C ATOM 36 F LIG 1 10.143 0.073 2.155 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.760 1.529 3.000 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.665 -0.564 3.624 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7