REMARK Name = BDB027110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.385 -1.533 0.801 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -2.106 -2.511 0.571 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.758 0.145 0.123 0.00 0.00 -0.045 A ATOM 4 C LIG 1 3.621 -1.045 0.852 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.331 -1.554 1.056 0.00 0.00 +0.047 A ATOM 6 C LIG 1 1.176 -0.926 0.580 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.057 -1.725 0.995 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.580 -2.829 1.648 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.342 0.255 -0.176 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.937 -2.700 1.706 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.568 -3.356 2.145 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.624 0.778 -0.391 0.00 0.00 +0.004 A BRANCH 3 13 ATOM 13 C LIG 1 5.132 0.714 -0.141 0.00 0.00 +0.044 C BRANCH 13 14 ATOM 14 C LIG 1 5.735 0.139 -1.420 0.00 0.00 +0.100 C BRANCH 14 18 ATOM 15 C LIG 1 8.964 0.659 -3.305 0.00 0.00 +0.128 C ATOM 16 N LIG 1 7.691 0.180 -2.829 0.00 0.00 -0.318 N ATOM 17 H LIG 1 7.118 -0.369 -3.458 0.00 0.00 +0.148 HD ATOM 18 C LIG 1 7.111 0.708 -1.694 0.00 0.00 +0.213 C ATOM 19 O LIG 1 7.655 1.546 -0.985 0.00 0.00 -0.276 OA ENDBRANCH 14 18 ENDBRANCH 13 14 ENDBRANCH 3 13 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -1.986 -0.096 0.870 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -1.629 0.609 2.170 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.010 0.066 3.409 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.677 0.709 4.602 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -0.962 1.904 4.573 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -0.587 2.461 3.352 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -0.922 1.821 2.157 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.463 -0.178 0.714 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.664 -0.941 0.060 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.050 1.071 0.224 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.569 0.944 0.025 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.951 0.063 -1.143 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.275 -1.287 -0.937 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -6.609 -2.105 -2.017 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -6.620 -1.574 -3.301 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -6.941 -2.359 -4.338 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -6.301 -0.240 -3.526 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -5.965 0.580 -2.448 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 10