REMARK Name = BDB060743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.342 -1.446 0.809 0.00 0.00 +0.125 A ATOM 2 C LIG 1 2.477 -0.736 0.390 0.00 0.00 +0.092 A ATOM 3 C LIG 1 3.716 -1.278 0.654 0.00 0.00 +0.143 A ATOM 4 O LIG 1 4.926 -0.718 0.314 0.00 0.00 -0.451 OA ATOM 5 C LIG 1 5.894 -1.602 0.776 0.00 0.00 +0.176 C ATOM 6 C LIG 1 5.264 -2.778 1.435 0.00 0.00 +0.231 C ATOM 7 O LIG 1 5.787 -3.743 1.947 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 7.221 -1.465 0.650 0.00 0.00 +0.058 C ATOM 9 C LIG 1 3.840 -2.493 1.316 0.00 0.00 +0.068 A ATOM 10 C LIG 1 2.746 -3.218 1.742 0.00 0.00 +0.019 A ATOM 11 C LIG 1 1.480 -2.680 1.481 0.00 0.00 +0.046 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 7.907 -0.342 -0.001 0.00 0.00 -0.021 A ATOM 13 C LIG 1 7.515 0.989 0.188 0.00 0.00 +0.009 A ATOM 14 C LIG 1 8.216 2.033 -0.427 0.00 0.00 +0.019 A ATOM 15 C LIG 1 9.326 1.756 -1.230 0.00 0.00 +0.052 A ATOM 16 C LIG 1 9.735 0.432 -1.409 0.00 0.00 +0.019 A ATOM 17 C LIG 1 9.032 -0.609 -0.793 0.00 0.00 +0.009 A BRANCH 15 18 ATOM 18 C LIG 1 10.045 2.825 -1.860 0.00 0.00 +0.099 C ATOM 19 N LIG 1 10.628 3.689 -2.369 0.00 0.00 -0.191 NA ENDBRANCH 15 18 ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 O LIG 1 0.157 -0.831 0.507 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.045 -1.501 0.878 0.00 0.00 +0.264 C BRANCH 21 28 ATOM 22 C LIG 1 -4.189 2.314 1.770 0.00 0.00 +0.047 C ATOM 23 C LIG 1 -3.746 1.204 0.860 0.00 0.00 -0.008 A ATOM 24 C LIG 1 -4.384 0.941 -0.365 0.00 0.00 +0.128 A ATOM 25 C LIG 1 -3.872 -0.033 -1.238 0.00 0.00 -0.008 A ATOM 26 C LIG 1 -4.433 -0.242 -2.616 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -2.799 -0.833 -0.814 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -2.209 -0.647 0.443 0.00 0.00 -0.010 A ATOM 29 C LIG 1 -2.677 0.388 1.262 0.00 0.00 +0.014 A BRANCH 24 30 ATOM 30 O LIG 1 -5.444 1.720 -0.743 0.00 0.00 -0.475 OA BRANCH 30 31 ATOM 31 C LIG 1 -6.782 1.230 -0.473 0.00 0.00 +0.200 C ATOM 32 C LIG 1 -7.477 2.349 0.321 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -6.872 -0.093 0.312 0.00 0.00 +0.067 C BRANCH 31 34 ATOM 34 C LIG 1 -7.533 1.104 -1.825 0.00 0.00 +0.348 C ATOM 35 O LIG 1 -7.069 1.395 -2.919 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -8.812 0.654 -1.732 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -9.144 0.484 -0.834 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 21 28 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 9