REMARK Name = BDB004862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.562 -1.192 1.619 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.472 -0.530 1.027 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.704 -1.217 0.718 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.786 -2.584 1.012 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.294 -3.256 1.588 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.466 -2.564 1.884 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.837 -0.615 0.131 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.625 -1.230 -0.022 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.946 0.681 -0.341 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -1.050 1.514 -0.412 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.291 1.055 -0.856 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -4.465 0.561 -0.280 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -5.698 0.950 -0.798 0.00 0.00 +0.122 A ATOM 14 N LIG 1 -5.769 1.819 -1.830 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -4.624 2.303 -2.359 0.00 0.00 +0.113 A ATOM 16 C LIG 1 -3.369 1.955 -1.912 0.00 0.00 +0.033 A BRANCH 13 17 ATOM 17 N LIG 1 -6.879 0.467 -0.203 0.00 0.00 -0.311 N ATOM 18 C LIG 1 -7.034 -0.999 -0.330 0.00 0.00 +0.134 C ATOM 19 C LIG 1 -8.310 -1.451 0.401 0.00 0.00 +0.178 C ATOM 20 O LIG 1 -9.473 -0.770 -0.093 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -9.324 0.650 0.076 0.00 0.00 +0.178 C ATOM 22 C LIG 1 -8.092 1.178 -0.675 0.00 0.00 +0.134 C ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 2.840 -0.443 1.921 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.769 -0.655 0.818 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.337 -0.388 -0.063 0.00 0.00 +0.148 HD BRANCH 24 29 ATOM 26 C LIG 1 8.141 0.488 -0.934 0.00 0.00 +0.063 A ATOM 27 C LIG 1 7.176 0.587 0.091 0.00 0.00 +0.088 A ATOM 28 C LIG 1 5.965 -0.112 -0.087 0.00 0.00 +0.041 A ATOM 29 C LIG 1 5.007 0.011 0.942 0.00 0.00 +0.130 A ATOM 30 N LIG 1 5.242 0.718 2.058 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 6.418 1.336 2.136 0.00 0.00 +0.223 A ATOM 32 C LIG 1 5.759 -0.897 -1.249 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.723 -0.984 -2.243 0.00 0.00 +0.002 A ATOM 34 N LIG 1 7.385 1.315 1.211 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 7.910 -0.288 -2.087 0.00 0.00 +0.015 A BRANCH 26 39 ATOM 36 N LIG 1 9.748 1.970 0.194 0.00 0.00 -0.325 N ATOM 37 H LIG 1 10.646 2.427 0.247 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 9.085 2.062 0.959 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 9.466 1.184 -0.883 0.00 0.00 +0.244 C ATOM 40 O LIG 1 10.291 1.061 -1.782 0.00 0.00 -0.270 OA ENDBRANCH 26 39 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7