REMARK Name = BDB059492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.272 2.300 0.140 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -3.918 2.041 0.112 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -3.011 3.006 -0.503 0.00 0.00 +0.144 C ATOM 4 C LIG 1 -1.695 2.297 -0.505 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -1.843 0.998 -0.001 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -0.763 0.135 0.086 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.490 0.595 -0.335 0.00 0.00 +0.013 A ATOM 8 C LIG 1 0.642 1.906 -0.834 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -0.463 2.762 -0.934 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -3.270 0.751 0.374 0.00 0.00 +0.143 C ATOM 11 O LIG 1 -5.770 3.333 -0.299 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 -7.936 -0.703 1.743 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -8.013 -0.261 0.407 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -7.154 0.718 -0.109 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -6.169 1.269 0.703 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -6.063 0.870 2.031 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -6.931 -0.110 2.533 0.00 0.00 +0.024 A BRANCH 12 19 ATOM 18 C LIG 1 -10.056 -1.938 1.556 0.00 0.00 +0.129 C ATOM 19 N LIG 1 -8.782 -1.704 2.237 0.00 0.00 -0.336 N ATOM 20 C LIG 1 -8.781 -1.996 3.670 0.00 0.00 +0.129 C ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 8 21 ATOM 21 C LIG 1 1.960 2.413 -1.297 0.00 0.00 +0.244 C ATOM 22 N LIG 1 3.070 1.943 -0.638 0.00 0.00 -0.309 N ATOM 23 H LIG 1 2.971 1.307 0.143 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 2.031 3.213 -2.224 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 4.422 2.366 -0.974 0.00 0.00 +0.137 C BRANCH 25 26 ATOM 26 C LIG 1 4.956 1.808 -2.311 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 4.373 2.482 -3.435 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 3.485 2.806 -3.162 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.751 0.285 -2.483 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 5.262 -0.556 -1.382 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 6.738 -0.497 -1.306 0.00 0.00 +0.120 C ATOM 32 C LIG 1 7.332 -1.471 -0.308 0.00 0.00 -0.030 A ATOM 33 C LIG 1 6.607 -2.596 0.124 0.00 0.00 -0.042 A ATOM 34 C LIG 1 7.184 -3.491 1.036 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.487 -3.287 1.492 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.218 -2.189 1.044 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.193 -2.803 -0.348 0.00 0.00 +0.051 C ATOM 38 C LIG 1 8.646 -1.286 0.147 0.00 0.00 +0.005 A ATOM 39 C LIG 1 4.846 -1.956 -1.579 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 8 21 TORSDOF 8