REMARK Name = BDB010038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.221 1.267 0.206 0.00 0.00 -0.315 N ATOM 2 C LIG 1 -1.409 0.749 -0.269 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -1.999 1.814 -0.925 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -3.204 1.768 -1.510 0.00 0.00 -0.200 NA ATOM 5 C LIG 1 -3.792 0.572 -1.377 0.00 0.00 +0.242 A ATOM 6 N LIG 1 -3.289 -0.521 -0.758 0.00 0.00 -0.205 NA ATOM 7 N LIG 1 -1.210 2.924 -0.891 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.069 -0.476 -0.194 0.00 0.00 +0.149 A ATOM 9 C LIG 1 -0.127 2.585 -0.215 0.00 0.00 +0.144 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 0.962 3.515 0.096 0.00 0.00 +0.018 A ATOM 11 C LIG 1 0.654 4.757 0.671 0.00 0.00 +0.015 A ATOM 12 C LIG 1 1.662 5.675 0.997 0.00 0.00 -0.050 A ATOM 13 C LIG 1 1.310 7.011 1.582 0.00 0.00 +0.044 C ATOM 14 C LIG 1 2.992 5.354 0.707 0.00 0.00 +0.003 A ATOM 15 C LIG 1 3.309 4.133 0.114 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.299 3.219 -0.194 0.00 0.00 +0.011 A ENDBRANCH 9 10 BRANCH 5 17 ATOM 17 C LIG 1 -5.157 0.399 -1.989 0.00 0.00 +0.375 C ATOM 18 O LIG 1 -5.832 -0.619 -2.002 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 -5.634 1.523 -2.572 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 -6.511 1.260 -2.918 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 8 21 ATOM 21 N LIG 1 -1.524 -1.589 0.430 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -0.528 -1.665 0.252 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.176 -2.902 0.352 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -2.181 -3.446 -1.075 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 -3.493 -2.903 1.089 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -4.303 -4.172 1.232 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -4.841 -3.030 0.418 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 1 28 ATOM 28 C LIG 1 0.684 0.603 1.136 0.00 0.00 +0.159 C BRANCH 28 32 ATOM 29 C LIG 1 3.334 -2.401 -0.541 0.00 0.00 -0.048 A ATOM 30 C LIG 1 2.684 -1.502 -1.393 0.00 0.00 +0.004 A ATOM 31 C LIG 1 1.829 -0.523 -0.878 0.00 0.00 +0.005 A ATOM 32 C LIG 1 1.601 -0.422 0.502 0.00 0.00 -0.028 A ATOM 33 C LIG 1 2.271 -1.318 1.352 0.00 0.00 +0.005 A ATOM 34 C LIG 1 3.126 -2.295 0.837 0.00 0.00 +0.004 A BRANCH 29 36 ATOM 35 C LIG 1 5.696 -2.926 -1.202 0.00 0.00 +0.009 C ATOM 36 C LIG 1 4.269 -3.443 -1.098 0.00 0.00 +0.032 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 9