REMARK Name = BDB017355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.720 -0.167 0.401 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.946 -0.624 -0.671 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.563 -0.790 -0.535 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.075 -0.527 0.682 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.699 -0.038 1.739 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.085 0.127 1.606 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.843 0.919 2.187 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 5.049 0.457 1.072 0.00 0.00 +0.248 C ATOM 9 N LIG 1 4.109 -0.033 0.184 0.00 0.00 -0.282 N ATOM 10 H LIG 1 4.424 -0.265 -0.748 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.452 0.441 0.577 0.00 0.00 +0.040 A ATOM 12 C LIG 1 6.940 -0.605 -0.216 0.00 0.00 +0.033 A ATOM 13 C LIG 1 8.266 -0.578 -0.647 0.00 0.00 +0.043 A ATOM 14 CL LIG 1 8.864 -1.860 -1.627 0.00 0.00 -0.083 Cl ATOM 15 C LIG 1 9.113 0.469 -0.291 0.00 0.00 +0.040 A ATOM 16 C LIG 1 8.625 1.496 0.514 0.00 0.00 +0.043 A ATOM 17 CL LIG 1 9.666 2.789 0.967 0.00 0.00 -0.083 Cl ATOM 18 C LIG 1 7.303 1.487 0.955 0.00 0.00 +0.033 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.478 -0.626 0.827 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -1.754 -0.545 1.805 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.351 -1.542 0.175 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -3.676 -1.190 -0.167 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -4.480 -2.238 -0.642 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -5.814 -2.011 -0.942 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -6.355 -2.804 -1.250 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.445 -0.820 -0.794 0.00 0.00 +0.254 A ATOM 27 C LIG 1 -5.603 0.330 -0.351 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -6.334 1.646 -0.259 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -5.531 2.736 0.446 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.092 2.728 -0.039 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.428 1.376 0.243 0.00 0.00 +0.036 C ATOM 32 O LIG 1 -7.642 -0.692 -1.031 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -4.083 -3.518 -0.816 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -2.817 -3.809 -0.481 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.287 0.173 -0.085 0.00 0.00 -0.027 A ATOM 36 C LIG 1 -1.936 -2.876 0.027 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4