REMARK Name = BDB010838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.006 -0.433 -0.676 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.943 -1.328 -0.517 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.983 -2.545 -1.176 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.121 -3.292 -0.922 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 0.858 -2.593 -0.070 0.00 0.00 +0.145 A ATOM 6 N LIG 1 -1.980 -2.957 -1.971 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.967 -2.057 -2.044 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.246 -1.373 0.201 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -3.028 -0.853 -1.449 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.113 -2.443 -2.896 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.108 -3.643 -3.499 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.392 -4.349 -3.444 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.246 -3.732 -4.199 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.596 -4.681 -4.882 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.957 -2.571 -4.022 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.172 -1.745 -3.153 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.181 -3.154 0.432 0.00 0.00 +0.123 C ATOM 18 C LIG 1 3.349 -2.726 -0.479 0.00 0.00 +0.043 C ATOM 19 C LIG 1 4.702 -2.689 0.244 0.00 0.00 +0.003 C ATOM 20 C LIG 1 4.834 -3.801 1.276 0.00 0.00 +0.000 C ATOM 21 C LIG 1 3.748 -3.731 2.352 0.00 0.00 +0.003 C ATOM 22 C LIG 1 2.501 -2.951 1.913 0.00 0.00 +0.043 C BRANCH 17 23 ATOM 23 O LIG 1 2.042 -4.585 0.271 0.00 0.00 -0.381 OA ATOM 24 H LIG 1 1.385 -4.709 -0.446 0.00 0.00 +0.211 HD ENDBRANCH 17 23 ENDBRANCH 5 17 BRANCH 1 25 ATOM 25 N LIG 1 -2.065 0.822 -0.086 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.171 1.287 -0.029 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 -2.830 2.398 -1.809 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -3.154 1.726 -0.472 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 -3.291 2.805 0.608 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.561 3.699 0.561 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.553 3.668 2.102 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -3.797 2.328 1.998 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 0.681 -0.361 1.145 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.879 0.504 0.702 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.170 1.595 1.756 0.00 0.00 +0.005 C ATOM 36 C LIG 1 1.542 2.936 1.386 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.076 3.477 0.047 0.00 0.00 -0.014 C ATOM 38 C LIG 1 3.199 4.492 0.261 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.549 2.355 -0.894 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.712 1.095 -0.713 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8