REMARK Name = BDB002404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.956 -0.690 1.178 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.063 -1.558 1.504 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.837 -1.405 2.744 0.00 0.00 +0.162 C ATOM 4 C LIG 1 1.305 -2.835 3.027 0.00 0.00 +0.033 C ATOM 5 C LIG 1 1.566 -3.382 1.626 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.437 -2.780 0.802 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -1.204 0.299 1.873 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.067 -0.473 2.615 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.048 0.380 1.537 0.00 0.00 -0.303 N ATOM 10 H LIG 1 1.348 0.201 0.830 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 2.971 -0.474 3.450 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.254 1.044 1.080 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 3.943 0.106 0.088 0.00 0.00 -0.023 A ATOM 14 C LIG 1 3.447 -0.072 -1.215 0.00 0.00 +0.006 A ATOM 15 C LIG 1 4.063 -0.966 -2.093 0.00 0.00 +0.000 A ATOM 16 C LIG 1 5.173 -1.699 -1.679 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.668 -1.543 -0.385 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.054 -0.650 0.495 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 3.005 2.443 0.520 0.00 0.00 -0.023 A ATOM 20 C LIG 1 1.726 3.015 0.432 0.00 0.00 +0.006 A ATOM 21 C LIG 1 1.552 4.300 -0.090 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.651 5.038 -0.522 0.00 0.00 +0.000 A ATOM 23 C LIG 1 3.929 4.496 -0.429 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.105 3.211 0.089 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -1.800 -0.997 -0.082 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 C LIG 1 -2.985 -1.935 0.249 0.00 0.00 +0.018 C ATOM 27 C LIG 1 -3.938 -1.386 1.333 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -5.348 -1.982 1.271 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.351 -3.387 0.690 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -4.803 -3.411 -0.738 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -3.767 -2.318 -1.016 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 -1.373 1.004 -1.444 0.00 0.00 +0.230 C ATOM 33 N LIG 1 -2.239 0.281 -0.645 0.00 0.00 -0.302 N ATOM 34 H LIG 1 -2.816 0.836 -0.026 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 -0.297 0.540 -1.825 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 -1.894 2.393 -1.914 0.00 0.00 +0.137 C ATOM 37 C LIG 1 -2.497 3.218 -0.780 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 -1.157 3.947 -3.637 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -0.759 3.146 -2.490 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 -0.047 2.468 -2.784 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 9