REMARK Name = BDB032065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.484 -2.439 -0.978 0.00 0.00 +0.219 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 3.515 2.620 -1.756 0.00 0.00 +0.153 C ATOM 3 N LIG 1 2.809 1.394 -1.457 0.00 0.00 -0.302 N ATOM 4 C LIG 1 3.497 0.408 -0.739 0.00 0.00 +0.263 A ATOM 5 O LIG 1 4.656 0.517 -0.350 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 2.694 -0.768 -0.498 0.00 0.00 +0.083 A ATOM 7 C LIG 1 2.941 -1.994 0.163 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.783 -2.741 0.067 0.00 0.00 +0.089 A ATOM 9 N LIG 1 0.854 -2.002 -0.627 0.00 0.00 -0.323 N ATOM 10 C LIG 1 1.403 -0.796 -0.972 0.00 0.00 +0.148 A ATOM 11 N LIG 1 0.750 0.176 -1.653 0.00 0.00 -0.219 NA ATOM 12 C LIG 1 1.492 1.224 -1.868 0.00 0.00 +0.204 A ENDBRANCH 1 9 BRANCH 1 13 ATOM 13 C LIG 1 -1.525 -1.935 0.001 0.00 0.00 +0.237 C ATOM 14 N LIG 1 -1.758 -0.571 -0.080 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -1.147 -0.041 -0.707 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -2.104 -2.719 0.750 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.688 0.197 0.667 0.00 0.00 +0.055 A ATOM 18 C LIG 1 -2.748 1.583 0.459 0.00 0.00 +0.080 A ATOM 19 CL LIG 1 -1.738 2.391 -0.681 0.00 0.00 -0.080 Cl ATOM 20 C LIG 1 -3.661 2.329 1.193 0.00 0.00 +0.132 A ATOM 21 N LIG 1 -4.508 1.803 2.106 0.00 0.00 -0.262 NA ATOM 22 C LIG 1 -4.434 0.469 2.290 0.00 0.00 +0.112 A ATOM 23 C LIG 1 -3.557 -0.362 1.605 0.00 0.00 +0.044 A ENDBRANCH 14 17 ENDBRANCH 1 13 TORSDOF 3