REMARK Name = BDB056171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.039 -1.933 1.657 0.00 0.00 +0.119 C ENDROOT BRANCH 1 10 ATOM 2 O LIG 1 -6.335 2.677 0.036 0.00 0.00 -0.272 OA ATOM 3 C LIG 1 -5.603 1.754 -0.315 0.00 0.00 +0.255 C ATOM 4 N LIG 1 -4.684 1.212 0.537 0.00 0.00 -0.280 N ATOM 5 H LIG 1 -4.628 1.611 1.464 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -3.870 0.147 0.156 0.00 0.00 +0.076 A ATOM 7 C LIG 1 -4.027 -0.443 -1.098 0.00 0.00 +0.142 A ATOM 8 C LIG 1 -3.228 -1.526 -1.454 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -2.262 -2.008 -0.567 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -2.087 -1.415 0.693 0.00 0.00 -0.031 A ATOM 11 O LIG 1 -4.963 -0.054 -2.014 0.00 0.00 -0.481 OA ATOM 12 C LIG 1 -2.912 -0.336 1.049 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -5.608 1.177 -1.730 0.00 0.00 +0.325 C ENDBRANCH 1 10 BRANCH 1 14 ATOM 14 N LIG 1 0.298 -1.351 1.536 0.00 0.00 -0.298 NA ATOM 15 C LIG 1 1.058 -1.740 0.351 0.00 0.00 +0.085 C ATOM 16 C LIG 1 1.330 -0.589 -0.617 0.00 0.00 +0.023 C ATOM 17 C LIG 1 2.008 0.616 0.068 0.00 0.00 +0.021 C ATOM 18 C LIG 1 1.777 0.624 1.590 0.00 0.00 +0.023 C ATOM 19 C LIG 1 0.397 0.056 1.917 0.00 0.00 +0.085 C BRANCH 17 20 ATOM 20 C LIG 1 3.480 0.744 -0.285 0.00 0.00 -0.044 A ATOM 21 C LIG 1 3.928 1.861 -1.008 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.276 1.998 -1.349 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.194 1.021 -0.975 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.765 -0.094 -0.259 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.418 -0.232 0.084 0.00 0.00 +0.004 A ENDBRANCH 17 20 ENDBRANCH 1 14 TORSDOF 3