REMARK Name = BDB016077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.687 -0.215 -0.156 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.539 -0.776 -0.178 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.625 0.009 0.002 0.00 0.00 +0.133 A ATOM 4 C LIG 1 -1.480 1.390 0.159 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.180 1.865 0.175 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.914 1.094 0.033 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.293 -1.429 -0.498 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.172 -0.599 -0.324 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.854 -1.103 -0.342 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.699 -2.486 -0.548 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.801 -3.325 -0.726 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.091 -2.798 -0.701 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 8.240 1.427 0.480 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.376 0.388 -0.026 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.888 -0.571 -0.817 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.833 -1.344 -1.090 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.642 -0.887 -0.477 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.040 0.242 0.210 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.570 2.336 0.259 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.557 2.502 -0.690 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.356 3.507 -0.234 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.531 4.043 -0.878 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.952 4.020 0.944 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.855 3.316 1.235 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.874 -0.620 0.017 0.00 0.00 -0.313 N ATOM 26 C LIG 1 -2.912 -2.039 -0.380 0.00 0.00 +0.125 C ATOM 27 C LIG 1 -4.279 -2.519 0.151 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -4.318 -1.806 1.502 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -3.693 -0.434 1.227 0.00 0.00 +0.108 C BRANCH 27 30 ATOM 30 N LIG 1 -5.391 -2.099 -0.716 0.00 0.00 -0.326 NA ATOM 31 H LIG 1 -5.232 -1.127 -0.989 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 -6.266 -2.119 -0.197 0.00 0.00 +0.119 HD ENDBRANCH 27 30 ENDBRANCH 3 25 TORSDOF 5