REMARK Name = BDB004841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.779 0.278 2.092 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.673 0.629 1.296 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.376 -0.267 1.086 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.312 -1.533 1.682 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.783 -1.897 2.467 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.826 -0.997 2.669 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.518 0.022 0.308 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.184 -0.735 0.223 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.776 1.176 -0.410 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -1.036 2.141 -0.549 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.087 1.202 -1.101 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -4.247 0.635 -0.553 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -5.470 0.684 -1.235 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -5.421 1.336 -2.476 0.00 0.00 +0.133 A ATOM 15 N LIG 1 -4.326 1.914 -3.035 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 -3.181 1.843 -2.324 0.00 0.00 +0.123 A BRANCH 13 17 ATOM 17 N LIG 1 -6.628 0.134 -0.715 0.00 0.00 -0.324 N ATOM 18 C LIG 1 -6.623 -0.829 0.398 0.00 0.00 +0.133 C ATOM 19 C LIG 1 -7.889 -1.702 0.348 0.00 0.00 +0.178 C ATOM 20 O LIG 1 -9.112 -0.960 0.430 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -9.008 0.371 -0.092 0.00 0.00 +0.178 C ATOM 22 C LIG 1 -7.961 0.528 -1.208 0.00 0.00 +0.133 C ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 2.912 1.258 2.291 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.755 1.308 1.104 0.00 0.00 -0.324 N ATOM 25 H LIG 1 4.090 2.249 0.925 0.00 0.00 +0.148 HD BRANCH 24 29 ATOM 26 C LIG 1 7.478 -0.602 -1.329 0.00 0.00 +0.063 A ATOM 27 C LIG 1 6.702 -0.531 -0.153 0.00 0.00 +0.088 A ATOM 28 C LIG 1 5.601 0.349 -0.152 0.00 0.00 +0.041 A ATOM 29 C LIG 1 4.843 0.416 1.036 0.00 0.00 +0.130 A ATOM 30 N LIG 1 5.129 -0.337 2.108 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 6.181 -1.146 2.007 0.00 0.00 +0.223 A ATOM 32 C LIG 1 5.291 1.104 -1.311 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.065 1.017 -2.459 0.00 0.00 +0.002 A ATOM 34 N LIG 1 6.982 -1.272 0.943 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 7.160 0.169 -2.466 0.00 0.00 +0.015 A BRANCH 26 39 ATOM 36 N LIG 1 9.043 -2.260 -0.408 0.00 0.00 -0.325 N ATOM 37 H LIG 1 8.503 -2.252 0.453 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 9.844 -2.868 -0.496 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 8.680 -1.484 -1.468 0.00 0.00 +0.244 C ATOM 40 O LIG 1 9.335 -1.521 -2.504 0.00 0.00 -0.270 OA ENDBRANCH 26 39 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7