REMARK Name = BDB026902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.489 -1.518 0.244 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.523 -2.637 0.214 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.636 -3.506 1.312 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.572 -4.543 1.307 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.398 -4.732 0.202 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.284 -3.891 -0.903 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.348 -2.855 -0.902 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -1.761 0.131 -1.516 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 -2.045 -0.195 -0.358 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -2.916 0.650 0.472 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -3.466 1.932 0.125 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -4.234 2.370 1.205 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.918 3.592 1.206 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -4.815 4.396 0.068 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.058 3.990 -1.028 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -4.165 1.398 2.172 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -4.636 1.446 3.065 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -3.381 2.765 -1.011 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -3.374 0.363 1.748 0.00 0.00 +0.095 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 N LIG 1 -0.272 -1.964 -0.486 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 -0.476 -1.869 -1.485 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 0.895 -1.138 -0.158 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 C LIG 1 2.113 -1.588 -0.975 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 3.332 -0.755 -0.657 0.00 0.00 -0.046 A ATOM 25 C LIG 1 4.225 -1.155 0.342 0.00 0.00 +0.004 A ATOM 26 C LIG 1 5.340 -0.369 0.650 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.586 0.832 -0.029 0.00 0.00 +0.004 A ATOM 28 C LIG 1 4.685 1.230 -1.026 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.568 0.446 -1.335 0.00 0.00 +0.004 A BRANCH 27 30 ATOM 30 C LIG 1 6.754 1.625 0.317 0.00 0.00 +0.112 A ATOM 31 N LIG 1 7.628 1.298 1.325 0.00 0.00 -0.130 NA ATOM 32 N LIG 1 8.577 2.224 1.375 0.00 0.00 -0.068 NA ATOM 33 N LIG 1 8.309 3.120 0.416 0.00 0.00 -0.264 N ATOM 34 H LIG 1 8.934 3.909 0.300 0.00 0.00 +0.190 HD ATOM 35 C LIG 1 7.181 2.794 -0.275 0.00 0.00 +0.135 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8