REMARK Name = BDB016238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.214 -1.309 -1.996 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.786 -0.597 -0.715 0.00 0.00 +0.179 C ATOM 3 O LIG 1 -2.467 -0.109 -0.951 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 -1.740 0.223 0.158 0.00 0.00 +0.145 A ATOM 5 C LIG 1 -2.220 0.651 1.402 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -1.287 0.899 2.422 0.00 0.00 +0.030 A ATOM 7 C LIG 1 0.085 0.758 2.201 0.00 0.00 +0.048 A ATOM 8 C LIG 1 0.562 0.369 0.954 0.00 0.00 +0.125 A ATOM 9 N LIG 1 -3.560 0.889 1.758 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -3.739 1.164 2.718 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -4.709 0.876 1.034 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -5.766 1.158 1.605 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -0.354 0.107 -0.061 0.00 0.00 +0.093 A ATOM 14 C LIG 1 -4.690 0.582 -0.434 0.00 0.00 +0.140 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 1.921 0.277 0.863 0.00 0.00 -0.486 OA BRANCH 15 16 ATOM 16 C LIG 1 2.465 -0.097 -0.407 0.00 0.00 +0.284 C BRANCH 16 17 ATOM 17 C LIG 1 3.976 -0.150 -0.330 0.00 0.00 +0.078 A ATOM 18 N LIG 1 4.670 0.398 -1.362 0.00 0.00 -0.256 NA ATOM 19 C LIG 1 6.018 0.329 -1.312 0.00 0.00 +0.111 A ATOM 20 C LIG 1 6.723 -0.274 -0.285 0.00 0.00 +0.020 A ATOM 21 C LIG 1 6.002 -0.844 0.757 0.00 0.00 +0.003 A ATOM 22 C LIG 1 4.612 -0.786 0.737 0.00 0.00 +0.027 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 TORSDOF 3