REMARK Name = BDB004760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.499 2.085 -0.532 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.483 1.272 -1.060 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.756 1.807 -1.459 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -0.969 3.183 -1.286 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.033 3.998 -0.762 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.263 3.452 -0.391 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.842 2.022 0.367 0.00 0.00 +0.266 C ATOM 8 N LIG 1 2.707 1.448 -0.174 0.00 0.00 -0.280 N ATOM 9 H LIG 1 2.740 0.453 -0.334 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.983 3.210 0.634 0.00 0.00 -0.268 OA BRANCH 7 15 ATOM 11 C LIG 1 6.386 -0.568 0.891 0.00 0.00 +0.066 A ATOM 12 N LIG 1 7.001 0.528 1.348 0.00 0.00 -0.178 NA ATOM 13 N LIG 1 6.099 1.506 1.171 0.00 0.00 -0.272 N ATOM 14 H LIG 1 6.337 2.455 1.446 0.00 0.00 +0.189 HD ATOM 15 C LIG 1 4.916 1.088 0.619 0.00 0.00 +0.121 A ATOM 16 C LIG 1 5.081 -0.270 0.425 0.00 0.00 +0.057 A BRANCH 11 18 ATOM 17 C LIG 1 8.331 -1.915 0.048 0.00 0.00 +0.014 C ATOM 18 C LIG 1 7.067 -1.907 0.911 0.00 0.00 +0.033 C ATOM 19 C LIG 1 7.384 -2.363 2.336 0.00 0.00 +0.014 C ENDBRANCH 11 18 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.889 0.951 -2.018 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -1.393 -0.196 -2.907 0.00 0.00 +0.033 C BRANCH 20 22 ATOM 22 N LIG 1 -2.645 0.446 -0.870 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -2.126 -0.257 -0.355 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.970 0.027 -1.076 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.734 -0.427 0.019 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -6.048 -0.854 -0.259 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -6.819 -1.337 0.819 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -6.305 -1.377 2.130 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -5.021 -0.930 2.397 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.531 -0.795 -1.520 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.732 -0.309 -2.476 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.243 -0.458 1.350 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -4.478 0.108 -2.314 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -8.221 -1.838 0.664 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -8.824 -2.359 1.597 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -8.828 -1.709 -0.549 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -9.750 -2.102 -0.677 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -8.312 -1.362 -1.352 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 7