REMARK Name = BDB018581 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.268 -0.194 -3.813 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -1.125 0.275 -3.719 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.788 0.510 -4.869 0.00 0.00 +0.098 A ATOM 4 N LIG 1 -1.215 0.334 -6.117 0.00 0.00 -0.318 N ATOM 5 C LIG 1 -2.012 0.631 -7.296 0.00 0.00 +0.152 C ATOM 6 C LIG 1 0.095 -0.098 -6.275 0.00 0.00 +0.252 A ATOM 7 O LIG 1 0.661 -0.264 -7.351 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.838 -0.371 -5.020 0.00 0.00 +0.079 A ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 2.698 -1.092 -0.485 0.00 0.00 +0.215 A ATOM 10 N LIG 1 2.966 0.029 -1.188 0.00 0.00 -0.221 NA ATOM 11 C LIG 1 2.167 0.281 -2.251 0.00 0.00 +0.123 A ATOM 12 C LIG 1 1.111 -0.536 -2.652 0.00 0.00 +0.001 A ATOM 13 C LIG 1 0.871 -1.690 -1.902 0.00 0.00 +0.015 A ATOM 14 C LIG 1 1.676 -1.973 -0.801 0.00 0.00 +0.068 A BRANCH 9 15 ATOM 15 O LIG 1 3.465 -1.419 0.615 0.00 0.00 -0.476 OA BRANCH 15 16 ATOM 16 C LIG 1 4.472 -0.448 0.909 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 5.219 -0.909 2.159 0.00 0.00 +0.056 C BRANCH 17 18 ATOM 18 C LIG 1 6.306 0.096 2.551 0.00 0.00 +0.087 C BRANCH 18 20 ATOM 19 C LIG 1 8.297 0.523 3.833 0.00 0.00 +0.104 C ATOM 20 N LIG 1 7.141 -0.364 3.674 0.00 0.00 -0.308 NA ATOM 21 C LIG 1 6.392 -0.424 4.931 0.00 0.00 +0.104 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 1 12 BRANCH 2 22 ATOM 22 C LIG 1 -1.770 0.481 -2.455 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -2.986 -0.036 -2.066 0.00 0.00 +0.123 A ATOM 24 N LIG 1 -3.234 0.413 -0.780 0.00 0.00 -0.238 N ATOM 25 N LIG 1 -2.228 1.204 -0.353 0.00 0.00 -0.174 NA ATOM 26 C LIG 1 -1.350 1.240 -1.353 0.00 0.00 +0.143 A BRANCH 24 27 ATOM 27 C LIG 1 -4.352 0.104 0.057 0.00 0.00 +0.083 A ATOM 28 C LIG 1 -4.590 0.770 1.288 0.00 0.00 +0.081 A ATOM 29 C LIG 1 -5.692 0.393 2.109 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -6.551 -0.619 1.643 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.330 -1.264 0.432 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -5.237 -0.910 -0.354 0.00 0.00 +0.029 A BRANCH 29 33 ATOM 33 C LIG 1 -5.996 1.073 3.437 0.00 0.00 +0.020 C ATOM 34 C LIG 1 -5.034 0.922 4.595 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.375 0.260 4.656 0.00 0.00 +0.009 C ENDBRANCH 29 33 BRANCH 28 36 ATOM 36 C LIG 1 -3.799 1.887 1.748 0.00 0.00 +0.102 C ATOM 37 N LIG 1 -3.240 2.811 2.180 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 24 27 ENDBRANCH 2 22 TORSDOF 10