REMARK Name = BDB015910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.058 1.934 0.526 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.078 1.196 -0.030 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.114 1.786 -0.263 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.340 3.126 0.056 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.730 3.790 0.622 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.932 3.229 0.865 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.782 -0.738 0.693 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.561 -0.085 0.450 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.352 1.270 0.786 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.426 1.956 1.380 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.647 1.324 1.629 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.822 -0.016 1.287 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 6.749 -5.090 -0.675 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.830 -4.054 -0.271 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.524 -4.343 -0.141 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.984 -3.177 0.225 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.940 -2.139 0.339 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.131 -2.751 0.004 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.629 3.789 -0.119 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -2.778 3.098 -0.017 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -3.746 4.003 -0.228 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.126 3.579 -0.211 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -3.270 5.261 -0.444 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -1.899 5.160 -0.380 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.098 1.048 -0.946 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.024 1.411 -0.684 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.014 -0.405 -0.906 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 -1.397 -0.988 0.457 0.00 0.00 +0.038 C BRANCH 28 29 ATOM 29 C LIG 1 -2.864 -0.777 0.835 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 N LIG 1 -3.815 -1.406 -0.072 0.00 0.00 -0.301 N ATOM 31 C LIG 1 -5.077 -0.860 -0.308 0.00 0.00 +0.216 C ATOM 32 O LIG 1 -5.470 0.254 -0.002 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 -5.927 -1.921 -0.966 0.00 0.00 +0.097 C ATOM 34 C LIG 1 -4.918 -2.994 -1.349 0.00 0.00 +0.028 C ATOM 35 C LIG 1 -3.818 -2.827 -0.321 0.00 0.00 +0.108 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8