REMARK Name = BDB058245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.806 0.334 -0.384 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.996 -1.035 -0.621 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.954 -1.915 -0.365 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.960 -3.406 -0.495 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.457 -3.731 -0.470 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.792 -2.614 0.348 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.355 -2.378 -0.034 0.00 0.00 +0.273 C ATOM 8 O LIG 1 -0.090 -2.124 -1.143 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.363 -2.517 1.107 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.438 -2.838 2.144 0.00 0.00 +0.411 C ATOM 11 O LIG 1 0.082 -3.045 3.294 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.733 -2.959 1.732 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.727 -1.460 0.128 0.00 0.00 +0.008 A ATOM 14 C LIG 1 2.526 -0.111 0.376 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.570 0.784 0.109 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 7.451 4.449 -0.801 0.00 0.00 +0.129 C ATOM 17 N LIG 1 7.168 3.041 -0.937 0.00 0.00 -0.302 N ATOM 18 H LIG 1 7.441 2.619 -1.813 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 5.998 2.534 -0.398 0.00 0.00 +0.304 C ATOM 20 N LIG 1 5.886 1.190 -0.677 0.00 0.00 -0.269 N ATOM 21 H LIG 1 6.737 0.750 -0.992 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 5.215 3.225 0.239 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.778 -2.233 1.215 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -1.964 -0.728 1.421 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.233 -0.176 1.256 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -4.472 -0.861 0.840 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -4.835 -2.120 1.628 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -4.499 -1.084 -0.679 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -3.809 0.035 -1.468 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.289 1.418 -1.096 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -4.067 1.982 0.184 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -4.529 3.291 0.439 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -5.210 4.020 -0.536 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -5.429 3.450 -1.779 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -6.084 4.145 -2.718 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.977 2.168 -2.066 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -3.323 1.289 1.323 0.00 0.00 +0.143 C ATOM 38 O LIG 1 -0.995 -0.032 1.744 0.00 0.00 -0.274 OA ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 3