REMARK Name = BDB004782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.683 -1.245 -1.846 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -2.529 -2.669 -2.397 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 0.866 0.158 -2.291 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.204 -0.632 -1.866 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.519 -0.379 -2.305 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.744 0.695 -3.177 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.684 1.494 -3.601 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.613 1.226 -3.160 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 2.701 -1.084 -1.127 0.00 0.00 +0.248 C ATOM 10 N LIG 1 2.202 -0.039 -1.882 0.00 0.00 -0.281 N ATOM 11 H LIG 1 2.868 0.629 -2.248 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.096 -2.081 -0.751 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 13 C LIG 1 6.109 0.237 -0.231 0.00 0.00 +0.215 A ATOM 14 N LIG 1 6.859 -0.883 -0.156 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 6.231 -2.057 -0.379 0.00 0.00 +0.115 A ATOM 16 C LIG 1 4.890 -2.160 -0.694 0.00 0.00 +0.033 A ATOM 17 C LIG 1 4.147 -0.983 -0.790 0.00 0.00 +0.043 A ATOM 18 C LIG 1 4.761 0.243 -0.540 0.00 0.00 +0.080 A BRANCH 13 20 ATOM 19 C LIG 1 8.061 1.388 0.353 0.00 0.00 +0.279 C ATOM 20 O LIG 1 6.683 1.471 0.002 0.00 0.00 -0.480 OA ENDBRANCH 13 20 ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -2.728 -1.306 -0.381 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -3.181 -2.151 -0.047 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.297 -0.206 0.294 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -3.210 -0.148 1.701 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -3.828 0.950 2.329 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -3.760 1.017 3.738 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -3.090 0.031 4.488 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -2.469 -1.034 3.857 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -4.455 1.894 1.591 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -4.457 1.750 0.260 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -2.528 -1.121 2.473 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -3.917 0.743 -0.422 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -4.381 2.121 4.537 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -4.312 2.146 5.762 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -5.035 3.116 3.875 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -5.447 3.871 4.404 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -5.091 3.117 2.860 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7