REMARK Name = BDB005059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.264 1.118 -0.449 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.402 0.355 -1.243 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.438 0.951 -2.077 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.336 2.345 -2.110 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.187 3.125 -1.333 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.139 2.515 -0.511 0.00 0.00 +0.023 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -3.220 0.565 0.421 0.00 0.00 -0.298 N ATOM 8 H LIG 1 -3.839 1.245 0.828 0.00 0.00 +0.154 HD BRANCH 7 18 ATOM 9 C LIG 1 -7.601 -0.723 3.600 0.00 0.00 +0.086 C ATOM 10 C LIG 1 -6.373 -1.193 2.919 0.00 0.00 +0.105 A ATOM 11 N LIG 1 -5.579 -0.356 2.175 0.00 0.00 -0.339 N ATOM 12 H LIG 1 -5.755 0.624 2.016 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 -4.525 -1.081 1.675 0.00 0.00 +0.107 A ATOM 14 C LIG 1 -4.750 -2.366 2.153 0.00 0.00 +0.094 A ATOM 15 C LIG 1 -3.866 -3.390 1.829 0.00 0.00 +0.049 A ATOM 16 C LIG 1 -2.804 -3.019 1.029 0.00 0.00 +0.115 A ATOM 17 N LIG 1 -2.583 -1.766 0.565 0.00 0.00 -0.238 NA ATOM 18 C LIG 1 -3.432 -0.746 0.866 0.00 0.00 +0.149 A ATOM 19 N LIG 1 -5.889 -2.416 2.920 0.00 0.00 -0.233 NA ENDBRANCH 7 18 ENDBRANCH 1 7 BRANCH 3 20 ATOM 20 C LIG 1 0.500 0.086 -2.888 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 1.554 -0.469 -2.043 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.180 -0.681 -1.121 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.731 0.293 -1.893 0.00 0.00 +0.130 A ATOM 24 C LIG 1 3.741 -0.161 -1.016 0.00 0.00 +0.041 A ATOM 25 C LIG 1 4.894 0.643 -0.907 0.00 0.00 +0.088 A ATOM 26 C LIG 1 5.906 0.218 -0.020 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.780 -0.974 0.720 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.652 -1.767 0.592 0.00 0.00 +0.002 A ATOM 29 N LIG 1 5.009 1.774 -1.639 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 4.007 2.088 -2.467 0.00 0.00 +0.223 A ATOM 31 C LIG 1 3.643 -1.364 -0.271 0.00 0.00 +0.013 A ATOM 32 N LIG 1 2.879 1.402 -2.633 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 7.175 0.980 0.203 0.00 0.00 +0.244 C ATOM 34 O LIG 1 8.050 0.566 0.957 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 7.350 2.161 -0.454 0.00 0.00 -0.325 N ATOM 36 H LIG 1 8.220 2.662 -0.340 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 6.656 2.494 -1.118 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 6