REMARK Name = BDB047465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.087 -0.662 -0.764 0.00 0.00 -0.295 N ATOM 2 H LIG 1 -1.382 -0.454 -1.716 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 15 ATOM 3 C LIG 1 -7.560 1.212 0.653 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -6.684 1.148 -0.434 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -6.018 -0.051 -0.731 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -5.075 -0.184 -1.888 0.00 0.00 +0.141 C ATOM 7 N LIG 1 -3.700 -0.330 -1.427 0.00 0.00 -0.333 N ATOM 8 H LIG 1 -3.352 0.531 -0.998 0.00 0.00 +0.147 HD ATOM 9 C LIG 1 -3.369 -1.412 -0.570 0.00 0.00 +0.131 A ATOM 10 C LIG 1 -4.231 -2.362 -0.019 0.00 0.00 +0.247 A ATOM 11 O LIG 1 -5.598 -2.355 -0.209 0.00 0.00 -0.436 OA ATOM 12 N LIG 1 -3.825 -3.396 0.746 0.00 0.00 -0.199 NA ATOM 13 C LIG 1 -2.518 -3.456 1.004 0.00 0.00 +0.227 A ATOM 14 N LIG 1 -1.588 -2.601 0.567 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -2.014 -1.605 -0.230 0.00 0.00 +0.151 A ATOM 16 C LIG 1 -6.224 -1.168 0.081 0.00 0.00 +0.135 A ATOM 17 C LIG 1 -7.110 -1.121 1.152 0.00 0.00 +0.050 A ATOM 18 C LIG 1 -7.771 0.073 1.438 0.00 0.00 +0.049 A BRANCH 3 20 ATOM 19 C LIG 1 -8.091 3.505 0.296 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -8.270 2.312 1.049 0.00 0.00 -0.495 OA ENDBRANCH 3 20 ENDBRANCH 1 15 BRANCH 1 21 ATOM 21 C LIG 1 0.296 -0.572 -0.569 0.00 0.00 +0.069 A ATOM 22 C LIG 1 1.096 0.161 -1.428 0.00 0.00 +0.139 A ATOM 23 N LIG 1 2.424 0.355 -1.278 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 2.991 -0.186 -0.199 0.00 0.00 +0.222 A ATOM 25 N LIG 1 2.324 -0.891 0.726 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 0.993 -1.054 0.522 0.00 0.00 +0.139 A BRANCH 24 27 ATOM 27 N LIG 1 4.347 -0.068 0.058 0.00 0.00 -0.250 N ATOM 28 H LIG 1 4.613 -0.518 0.918 0.00 0.00 +0.158 HD ATOM 29 C LIG 1 5.255 0.646 -0.682 0.00 0.00 +0.250 C ATOM 30 O LIG 1 5.026 1.346 -1.660 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 6.659 0.567 -0.185 0.00 0.00 +0.037 A ATOM 32 C LIG 1 7.174 -0.594 0.405 0.00 0.00 +0.013 A ATOM 33 C LIG 1 8.497 -0.622 0.857 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.317 0.505 0.727 0.00 0.00 -0.050 A ATOM 35 C LIG 1 10.747 0.460 1.180 0.00 0.00 +0.044 C ATOM 36 C LIG 1 8.808 1.653 0.108 0.00 0.00 +0.004 A ATOM 37 C LIG 1 7.487 1.684 -0.346 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 5