REMARK Name = BDB032751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.198 -2.940 -1.625 0.00 0.00 -0.445 OA ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -0.630 -1.758 -1.952 0.00 0.00 -0.251 N ATOM 3 H LIG 1 -0.798 -2.192 -1.054 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 0.582 -2.091 -2.488 0.00 0.00 +0.405 C ATOM 5 O LIG 1 1.063 -1.713 -3.545 0.00 0.00 -0.226 OA BRANCH 2 10 ATOM 6 C LIG 1 -4.741 1.781 -3.833 0.00 0.00 +0.049 C ATOM 7 C LIG 1 -3.660 0.848 -3.348 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -3.787 0.159 -2.127 0.00 0.00 +0.127 A ATOM 9 C LIG 1 -2.763 -0.696 -1.696 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -1.608 -0.887 -2.466 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -1.484 -0.215 -3.678 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -2.499 0.644 -4.114 0.00 0.00 +0.049 A ATOM 13 CL LIG 1 -2.266 1.443 -5.633 0.00 0.00 -0.083 Cl BRANCH 8 14 ATOM 14 O LIG 1 -4.939 0.392 -1.426 0.00 0.00 -0.491 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.170 -0.334 -0.221 0.00 0.00 +0.234 C BRANCH 15 16 ATOM 16 C LIG 1 -6.543 0.022 0.350 0.00 0.00 +0.042 C ATOM 17 C LIG 1 -6.727 1.515 0.659 0.00 0.00 +0.091 C ATOM 18 N LIG 1 -7.955 1.911 -0.040 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 -8.668 2.988 0.625 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -8.761 0.705 -0.202 0.00 0.00 +0.084 C ATOM 21 C LIG 1 -7.705 -0.316 -0.586 0.00 0.00 +0.023 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 2.524 -3.342 -1.988 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 C LIG 1 3.522 -2.427 -1.325 0.00 0.00 -0.010 A ATOM 24 C LIG 1 3.851 -2.602 0.027 0.00 0.00 +0.020 A ATOM 25 C LIG 1 4.742 -1.708 0.592 0.00 0.00 +0.042 A ATOM 26 C LIG 1 5.244 -1.652 1.968 0.00 0.00 +0.248 C ATOM 27 N LIG 1 6.154 -0.605 2.022 0.00 0.00 -0.282 N ATOM 28 C LIG 1 6.193 0.149 0.775 0.00 0.00 +0.144 C ATOM 29 O LIG 1 4.905 -2.396 2.868 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 5.307 -0.652 -0.119 0.00 0.00 -0.018 A ATOM 31 C LIG 1 4.988 -0.459 -1.450 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.091 -1.352 -2.050 0.00 0.00 +0.007 A BRANCH 27 33 ATOM 33 C LIG 1 6.655 -0.088 3.289 0.00 0.00 +0.163 C ATOM 34 C LIG 1 5.810 1.087 3.812 0.00 0.00 +0.240 C ATOM 35 O LIG 1 4.720 1.418 3.353 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 6.363 1.787 4.859 0.00 0.00 -0.255 N ATOM 37 H LIG 1 5.809 2.570 5.181 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 7.704 1.888 5.132 0.00 0.00 +0.219 C ATOM 39 O LIG 1 8.147 2.815 5.804 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 8.588 0.795 4.580 0.00 0.00 +0.098 C ATOM 41 C LIG 1 8.115 0.349 3.205 0.00 0.00 +0.041 C ENDBRANCH 27 33 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8