REMARK Name = BDB058001 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.942 -0.296 1.364 0.00 0.00 -0.247 NA ATOM 2 C LIG 1 2.664 -0.437 1.145 0.00 0.00 +0.083 A ATOM 3 C LIG 1 1.941 -1.331 2.085 0.00 0.00 +0.032 A ATOM 4 C LIG 1 0.757 -1.979 1.678 0.00 0.00 +0.104 A ATOM 5 C LIG 1 0.213 -2.910 2.597 0.00 0.00 +0.187 A ATOM 6 C LIG 1 0.787 -3.106 3.860 0.00 0.00 +0.203 A ATOM 7 C LIG 1 1.927 -2.429 4.238 0.00 0.00 +0.163 A ATOM 8 N LIG 1 0.125 -1.628 0.425 0.00 0.00 -0.272 N ATOM 9 C LIG 1 -1.089 -2.219 0.060 0.00 0.00 +0.263 C ATOM 10 O LIG 1 -1.216 -3.439 -0.075 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 0.695 -0.558 -0.358 0.00 0.00 +0.060 A ATOM 12 C LIG 1 0.092 -0.156 -1.571 0.00 0.00 +0.030 A ATOM 13 C LIG 1 0.501 0.991 -2.267 0.00 0.00 -0.048 A ATOM 14 C LIG 1 -0.175 1.382 -3.548 0.00 0.00 +0.044 C ATOM 15 C LIG 1 1.562 1.735 -1.765 0.00 0.00 +0.004 A ATOM 16 C LIG 1 2.228 1.304 -0.620 0.00 0.00 +0.012 A ATOM 17 C LIG 1 2.521 -1.552 3.354 0.00 0.00 +0.061 A ATOM 18 C LIG 1 1.851 0.124 0.040 0.00 0.00 +0.025 A ENDROOT BRANCH 1 23 ATOM 19 C LIG 1 7.799 2.196 -2.028 0.00 0.00 +0.044 C ATOM 20 C LIG 1 6.759 1.557 -1.156 0.00 0.00 -0.050 A ATOM 21 C LIG 1 6.117 0.382 -1.564 0.00 0.00 +0.005 A ATOM 22 C LIG 1 5.176 -0.234 -0.734 0.00 0.00 +0.028 A ATOM 23 C LIG 1 4.851 0.322 0.506 0.00 0.00 +0.065 A ATOM 24 C LIG 1 5.527 1.467 0.932 0.00 0.00 +0.028 A ATOM 25 C LIG 1 6.470 2.086 0.107 0.00 0.00 +0.005 A ENDBRANCH 1 23 BRANCH 9 26 ATOM 26 C LIG 1 -2.309 -1.360 -0.040 0.00 0.00 +0.040 A ATOM 27 C LIG 1 -2.435 -0.163 0.667 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -3.597 0.605 0.542 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -4.669 0.197 -0.277 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -4.531 -1.023 -0.960 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.370 -1.796 -0.839 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 C LIG 1 -5.930 1.073 -0.389 0.00 0.00 -0.013 C ATOM 33 C LIG 1 -6.577 1.232 1.003 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -7.010 0.496 -1.332 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -5.547 2.467 -0.934 0.00 0.00 +0.015 C ENDBRANCH 29 32 ENDBRANCH 9 26 BRANCH 7 36 ATOM 36 O LIG 1 2.475 -2.633 5.468 0.00 0.00 -0.503 OA ATOM 37 H LIG 1 1.899 -3.302 5.890 0.00 0.00 +0.292 HD ENDBRANCH 7 36 BRANCH 6 38 ATOM 38 O LIG 1 0.223 -3.989 4.746 0.00 0.00 -0.501 OA ATOM 39 H LIG 1 -0.561 -4.335 4.267 0.00 0.00 +0.292 HD ENDBRANCH 6 38 BRANCH 5 40 ATOM 40 O LIG 1 -0.888 -3.706 2.392 0.00 0.00 -0.502 OA ATOM 41 H LIG 1 -0.941 -3.927 1.434 0.00 0.00 +0.292 HD ENDBRANCH 5 40 TORSDOF 6