REMARK Name = BDB024267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.393 0.340 -0.149 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.419 -0.831 -1.120 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.663 -0.612 -2.486 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.659 -1.679 -3.386 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.413 -2.974 -2.934 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.175 -3.207 -1.581 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.178 -2.143 -0.678 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.028 0.656 0.424 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.076 0.382 -0.424 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.898 -0.084 -1.305 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.140 1.184 1.535 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.438 0.593 -0.221 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -3.200 0.175 -1.249 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 -4.545 0.341 -1.139 0.00 0.00 +0.136 A ATOM 15 C LIG 1 -5.220 0.889 -0.045 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -4.376 1.330 0.979 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -2.986 1.180 0.903 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 -6.601 1.058 0.041 0.00 0.00 -0.324 N ATOM 19 C LIG 1 -7.258 0.639 1.305 0.00 0.00 +0.133 C ATOM 20 C LIG 1 -7.684 -0.837 1.218 0.00 0.00 +0.178 C ATOM 21 O LIG 1 -8.557 -1.066 0.098 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -7.906 -0.704 -1.132 0.00 0.00 +0.178 C ATOM 23 C LIG 1 -7.469 0.771 -1.124 0.00 0.00 +0.133 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 2.315 0.112 0.992 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.015 0.738 1.747 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.708 0.394 0.639 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 4.623 0.126 1.841 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 8.751 0.941 0.866 0.00 0.00 +0.052 A ATOM 29 C LIG 1 7.966 1.926 1.472 0.00 0.00 +0.019 A ATOM 30 C LIG 1 6.632 1.662 1.793 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.071 0.408 1.513 0.00 0.00 -0.046 A ATOM 32 C LIG 1 6.861 -0.573 0.901 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.195 -0.309 0.580 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 11.226 1.435 0.268 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 10.119 1.213 0.536 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9