REMARK Name = BDB034134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.188 2.295 -0.142 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -3.963 3.052 0.762 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -3.420 3.572 1.945 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.064 3.416 2.217 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.256 2.727 1.312 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.812 2.189 0.138 0.00 0.00 +0.020 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 0.212 2.705 1.544 0.00 0.00 +0.247 C ATOM 8 N LIG 1 0.942 1.552 1.237 0.00 0.00 -0.297 N ATOM 9 C LIG 1 2.396 1.649 1.328 0.00 0.00 +0.111 C ATOM 10 C LIG 1 3.074 0.691 0.353 0.00 0.00 +0.063 C ATOM 11 C LIG 1 2.575 -0.746 0.527 0.00 0.00 +0.176 C ATOM 12 C LIG 1 1.042 -0.788 0.483 0.00 0.00 +0.063 C ATOM 13 C LIG 1 0.414 0.205 1.456 0.00 0.00 +0.111 C ATOM 14 O LIG 1 0.733 3.745 1.943 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 O LIG 1 2.987 -1.266 1.798 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 4.125 -2.025 1.845 0.00 0.00 +0.123 A ATOM 17 C LIG 1 5.144 -2.043 0.890 0.00 0.00 +0.068 A ATOM 18 C LIG 1 6.279 -2.868 1.030 0.00 0.00 +0.033 A ATOM 19 C LIG 1 6.353 -3.680 2.169 0.00 0.00 +0.023 A ATOM 20 C LIG 1 5.349 -3.656 3.141 0.00 0.00 +0.005 A ATOM 21 C LIG 1 4.244 -2.824 2.981 0.00 0.00 +0.046 A BRANCH 18 22 ATOM 22 N LIG 1 7.260 -2.841 0.023 0.00 0.00 -0.327 N ATOM 23 C LIG 1 8.024 -1.569 -0.004 0.00 0.00 +0.120 C ATOM 24 C LIG 1 8.908 -1.503 -1.274 0.00 0.00 +0.100 C ATOM 25 N LIG 1 9.802 -2.666 -1.441 0.00 0.00 -0.313 NA ATOM 26 H LIG 1 10.258 -2.605 -2.350 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 9.003 -3.905 -1.383 0.00 0.00 +0.100 C ATOM 28 C LIG 1 8.149 -4.017 -0.098 0.00 0.00 +0.120 C ENDBRANCH 18 22 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 7 BRANCH 1 32 ATOM 29 C LIG 1 -3.581 -1.313 -1.720 0.00 0.00 -0.006 C ATOM 30 C LIG 1 -4.493 -0.648 -0.670 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -4.978 0.727 -1.127 0.00 0.00 +0.008 C ATOM 32 C LIG 1 -3.822 1.711 -1.410 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -2.867 1.047 -2.426 0.00 0.00 +0.008 C ATOM 34 C LIG 1 -2.405 -0.366 -2.036 0.00 0.00 +0.004 C BRANCH 29 36 ATOM 35 C LIG 1 -2.477 -2.836 0.065 0.00 0.00 +0.011 C ATOM 36 C LIG 1 -3.141 -2.773 -1.323 0.00 0.00 -0.035 C ATOM 37 C LIG 1 -2.148 -3.347 -2.358 0.00 0.00 +0.011 C ATOM 38 C LIG 1 -4.372 -3.707 -1.307 0.00 0.00 +0.011 C ENDBRANCH 29 36 ENDBRANCH 1 32 BRANCH 2 39 ATOM 39 O LIG 1 -5.289 3.272 0.484 0.00 0.00 -0.487 OA BRANCH 39 40 ATOM 40 C LIG 1 -5.578 4.653 0.244 0.00 0.00 +0.188 C ATOM 41 C LIG 1 -6.413 5.273 1.373 0.00 0.00 +0.125 C ATOM 42 N LIG 1 -7.656 5.765 0.763 0.00 0.00 -0.312 NA ATOM 43 H LIG 1 -7.962 6.633 1.201 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 -7.359 5.957 -0.653 0.00 0.00 +0.084 C ATOM 45 C LIG 1 -6.486 4.763 -0.978 0.00 0.00 +0.061 C ENDBRANCH 39 40 ENDBRANCH 2 39 TORSDOF 8