REMARK Name = BDB016043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.731 1.665 -0.461 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -0.059 2.883 -0.365 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.316 2.824 -0.491 0.00 0.00 +0.125 A ATOM 4 N LIG 1 2.011 1.689 -0.696 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 1.284 0.561 -0.777 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.058 0.515 -0.661 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.715 4.154 -0.159 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.530 4.962 0.942 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -1.325 6.054 0.745 0.00 0.00 -0.274 N ATOM 10 C LIG 1 -1.492 7.179 1.632 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -1.998 6.024 -0.421 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -1.621 4.867 -0.972 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 1.995 -0.713 -1.004 0.00 0.00 +0.020 A ATOM 14 C LIG 1 3.405 -0.778 -1.005 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.097 -1.983 -1.218 0.00 0.00 -0.014 A ATOM 16 C LIG 1 3.360 -3.151 -1.440 0.00 0.00 +0.008 A ATOM 17 C LIG 1 1.966 -3.118 -1.446 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.295 -1.913 -1.230 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 5.551 -1.998 -1.215 0.00 0.00 +0.020 A ATOM 20 C LIG 1 6.340 -3.079 -0.875 0.00 0.00 +0.116 A ATOM 21 N LIG 1 7.635 -2.663 -0.991 0.00 0.00 -0.274 N ATOM 22 C LIG 1 8.822 -3.441 -0.737 0.00 0.00 +0.172 C ATOM 23 N LIG 1 7.754 -1.382 -1.381 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 6.487 -0.979 -1.514 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 -2.126 1.605 -0.266 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.579 2.310 -0.840 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.761 0.292 -0.426 0.00 0.00 +0.108 C BRANCH 27 29 ATOM 28 C LIG 1 -3.211 -1.966 0.762 0.00 0.00 +0.077 C ATOM 29 C LIG 1 -2.626 -0.548 0.845 0.00 0.00 +0.026 C ATOM 30 C LIG 1 -3.328 0.050 2.070 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -3.542 -1.129 3.023 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -3.194 -2.392 2.232 0.00 0.00 +0.022 C BRANCH 28 35 ATOM 33 C LIG 1 -6.309 -2.214 -1.429 0.00 0.00 +0.109 C ATOM 34 C LIG 1 -4.843 -2.230 -1.090 0.00 0.00 +0.210 C ATOM 35 N LIG 1 -4.573 -2.021 0.242 0.00 0.00 -0.312 N ATOM 36 H LIG 1 -5.334 -1.766 0.860 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 -3.978 -2.388 -1.944 0.00 0.00 -0.276 OA ENDBRANCH 28 35 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 7