REMARK Name = BDB035153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.083 -0.667 -3.606 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -0.871 -1.479 -3.558 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.361 -0.757 -2.958 0.00 0.00 +0.100 C ATOM 4 N LIG 1 0.056 -0.233 -1.617 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 -1.079 0.723 -1.694 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -1.982 0.634 -2.952 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.215 0.346 -0.898 0.00 0.00 +0.101 C ATOM 8 C LIG 1 2.509 -0.519 -0.978 0.00 0.00 +0.165 C ATOM 9 N LIG 1 3.602 -0.084 -0.082 0.00 0.00 -0.277 NA ATOM 10 C LIG 1 3.224 0.351 1.078 0.00 0.00 +0.120 C ATOM 11 C LIG 1 1.820 0.527 1.520 0.00 0.00 +0.030 C ATOM 12 C LIG 1 0.882 0.552 0.564 0.00 0.00 -0.004 C BRANCH 10 13 ATOM 13 C LIG 1 4.312 0.728 2.095 0.00 0.00 +0.267 C ATOM 14 N LIG 1 5.567 0.628 1.554 0.00 0.00 -0.264 N ATOM 15 H LIG 1 5.645 0.320 0.591 0.00 0.00 +0.157 HD ATOM 16 O LIG 1 4.000 1.064 3.227 0.00 0.00 -0.268 OA BRANCH 14 17 ATOM 17 C LIG 1 6.744 0.902 2.195 0.00 0.00 +0.147 A ATOM 18 N LIG 1 7.895 0.763 1.533 0.00 0.00 -0.156 NA ATOM 19 N LIG 1 8.835 1.107 2.431 0.00 0.00 -0.273 N ATOM 20 C LIG 1 10.226 1.078 2.047 0.00 0.00 +0.172 C ATOM 21 C LIG 1 8.326 1.459 3.643 0.00 0.00 +0.110 A ATOM 22 C LIG 1 6.962 1.336 3.522 0.00 0.00 +0.065 A ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -3.346 -1.377 -3.449 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 -4.533 0.269 1.024 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -3.239 -0.267 1.632 0.00 0.00 +0.217 C ATOM 26 O LIG 1 -2.454 0.396 2.301 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 -2.963 -1.578 1.349 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -2.057 -1.899 1.667 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -3.693 -2.348 0.363 0.00 0.00 +0.121 C ATOM 30 C LIG 1 -5.224 -2.122 0.459 0.00 0.00 +0.130 C ATOM 31 N LIG 1 -5.938 -2.148 -0.832 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 -5.275 -1.978 -1.917 0.00 0.00 +0.110 C ATOM 33 C LIG 1 -3.813 -1.783 -2.073 0.00 0.00 -0.018 C ATOM 34 C LIG 1 -3.090 -2.012 -0.968 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -5.603 -0.818 1.191 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 -4.187 2.787 1.196 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -4.983 1.581 1.685 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6