REMARK Name = BDB005110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.413 -1.161 -1.379 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.415 -1.705 -0.568 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.902 -1.853 -1.041 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.210 -1.442 -2.342 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.219 -0.904 -3.161 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.085 -0.767 -2.682 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.312 -1.238 0.263 0.00 0.00 +0.252 C ATOM 8 N LIG 1 -2.749 -0.981 -0.972 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.378 -0.584 -1.664 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.705 -1.665 1.242 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 -5.579 -0.283 -0.550 0.00 0.00 +0.132 A ATOM 12 C LIG 1 -4.791 -0.977 0.395 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -5.404 -1.470 1.564 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -6.769 -1.297 1.791 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.542 -0.628 0.851 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -6.953 -0.126 -0.312 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -5.682 1.117 -2.490 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -4.956 0.199 -1.677 0.00 0.00 -0.494 OA ENDBRANCH 11 18 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 1.974 -2.418 -0.134 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 2.422 -1.416 0.829 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.635 -0.848 1.132 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 3.479 -0.568 0.439 0.00 0.00 +0.130 A ATOM 23 C LIG 1 3.889 0.469 1.306 0.00 0.00 +0.041 A ATOM 24 C LIG 1 4.947 1.286 0.860 0.00 0.00 +0.088 A ATOM 25 C LIG 1 5.356 2.344 1.700 0.00 0.00 +0.063 A ATOM 26 C LIG 1 4.742 2.569 2.948 0.00 0.00 +0.015 A ATOM 27 C LIG 1 3.717 1.748 3.387 0.00 0.00 +0.002 A ATOM 28 N LIG 1 5.539 1.047 -0.332 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 5.096 0.012 -1.054 0.00 0.00 +0.223 A ATOM 30 C LIG 1 3.296 0.705 2.573 0.00 0.00 +0.013 A ATOM 31 N LIG 1 4.102 -0.808 -0.725 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 6.456 3.297 1.346 0.00 0.00 +0.244 C ATOM 33 O LIG 1 6.788 4.206 2.100 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 7.094 3.140 0.152 0.00 0.00 -0.325 N ATOM 35 H LIG 1 7.848 3.766 -0.088 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 6.846 2.379 -0.474 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 7