REMARK Name = BDB024557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.327 -2.678 1.303 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.035 -1.541 0.527 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.147 -0.831 -0.138 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.459 -1.454 -1.504 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.902 0.673 -0.214 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.628 0.965 -0.971 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.485 0.141 -0.451 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.161 0.571 -0.711 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.742 1.688 -1.389 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.423 1.671 -1.353 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.032 0.545 -0.689 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.074 -0.162 -0.259 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.239 -1.343 0.460 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.553 -1.773 0.704 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.688 -1.066 0.270 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.540 -3.337 1.973 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.431 0.194 -0.449 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.840 -1.149 -1.079 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.915 -1.886 -0.272 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -3.993 -0.948 0.324 0.00 0.00 -0.027 C ATOM 21 C LIG 1 -4.747 -0.222 -0.831 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -6.209 0.052 -0.483 0.00 0.00 +0.081 C ATOM 23 N LIG 1 -6.975 -1.168 -0.239 0.00 0.00 -0.316 NA ATOM 24 H LIG 1 -7.438 -1.474 -1.095 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -6.180 -2.273 0.297 0.00 0.00 +0.081 C ATOM 26 C LIG 1 -5.013 -1.784 1.151 0.00 0.00 +0.022 C ATOM 27 C LIG 1 -3.312 0.085 1.270 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -1.811 0.291 1.031 0.00 0.00 +0.026 C ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 7.014 -4.156 2.028 0.00 0.00 +0.282 C ATOM 30 O LIG 1 6.656 -3.010 1.255 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -0.448 2.740 -1.949 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -1.192 3.575 -0.927 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -0.518 4.157 0.157 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -1.211 4.923 1.095 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.582 5.128 0.954 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.260 4.574 -0.130 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.569 3.807 -1.069 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 4