REMARK Name = BDB020434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.579 1.251 1.767 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.324 1.045 1.185 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.345 0.402 0.057 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.770 0.764 0.312 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.985 1.593 1.565 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -2.821 0.863 2.619 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.522 2.996 1.264 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.696 0.198 -0.533 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -4.001 0.477 -0.257 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -4.172 1.447 -0.044 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.359 -0.527 -1.466 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -0.570 1.678 1.989 0.00 0.00 +0.066 A ATOM 13 N LIG 1 0.124 2.234 3.000 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -0.195 2.780 3.794 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 1.448 1.996 2.876 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.001 0.902 1.850 0.00 0.00 +0.249 C ATOM 17 N LIG 1 2.763 0.766 1.256 0.00 0.00 -0.265 N ATOM 18 H LIG 1 2.682 0.210 0.419 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 4.272 1.405 2.932 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 7.271 -0.817 -0.362 0.00 0.00 +0.033 A ATOM 21 C LIG 1 7.213 -0.916 1.029 0.00 0.00 +0.024 A ATOM 22 C LIG 1 6.147 -0.347 1.738 0.00 0.00 +0.015 A ATOM 23 C LIG 1 5.121 0.315 1.060 0.00 0.00 +0.037 A ATOM 24 C LIG 1 5.180 0.434 -0.332 0.00 0.00 +0.015 A ATOM 25 C LIG 1 6.249 -0.132 -1.036 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 9.403 -2.092 -0.718 0.00 0.00 +0.217 C ATOM 27 N LIG 1 8.308 -1.358 -1.150 0.00 0.00 -0.286 N ATOM 28 H LIG 1 8.239 -1.197 -2.147 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 9.655 -2.415 0.436 0.00 0.00 -0.275 OA BRANCH 26 31 ATOM 30 C LIG 1 11.515 -3.279 -1.446 0.00 0.00 +0.013 C ATOM 31 C LIG 1 10.300 -2.479 -1.884 0.00 0.00 +0.093 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -5.073 -0.068 -1.089 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 C LIG 1 -5.372 -1.520 -0.753 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -5.540 -1.946 0.575 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.838 -3.278 0.865 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.972 -4.203 -0.168 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.807 -3.797 -1.490 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.509 -2.465 -1.782 0.00 0.00 +0.005 A ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 C LIG 1 -6.355 0.803 -0.921 0.00 0.00 +0.111 C BRANCH 39 40 ATOM 40 N LIG 1 -6.091 2.268 -0.985 0.00 0.00 -0.306 NA ATOM 41 C LIG 1 -5.697 2.679 -2.337 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -7.296 3.002 -0.583 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 8