REMARK Name = BDB063584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.541 -1.848 0.273 0.00 0.00 -0.246 N ATOM 2 C LIG 1 1.510 -1.449 1.139 0.00 0.00 +0.316 C ATOM 3 O LIG 1 1.561 -0.626 2.042 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 0.386 -2.164 0.819 0.00 0.00 -0.220 N ATOM 5 C LIG 1 0.625 -3.016 -0.213 0.00 0.00 +0.241 C ATOM 6 O LIG 1 -0.171 -3.794 -0.722 0.00 0.00 -0.273 OA ATOM 7 C LIG 1 2.064 -2.860 -0.642 0.00 0.00 +0.211 C ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 7.100 -2.061 -1.695 0.00 0.00 +0.047 C ATOM 9 C LIG 1 6.138 -1.434 -0.721 0.00 0.00 -0.007 A ATOM 10 C LIG 1 6.550 -0.392 0.126 0.00 0.00 +0.133 A ATOM 11 C LIG 1 5.629 0.151 1.020 0.00 0.00 +0.048 A ATOM 12 C LIG 1 4.311 -0.328 1.073 0.00 0.00 +0.027 A ATOM 13 C LIG 1 3.874 -1.357 0.236 0.00 0.00 +0.039 A ATOM 14 C LIG 1 4.809 -1.900 -0.660 0.00 0.00 +0.030 A BRANCH 10 15 ATOM 15 O LIG 1 7.854 -0.005 -0.005 0.00 0.00 -0.405 OA BRANCH 15 16 ATOM 16 C LIG 1 8.309 1.089 0.774 0.00 0.00 +0.575 C ATOM 17 F LIG 1 9.604 1.327 0.467 0.00 0.00 -0.133 F ATOM 18 F LIG 1 8.236 0.813 2.094 0.00 0.00 -0.133 F ATOM 19 F LIG 1 7.602 2.208 0.504 0.00 0.00 -0.133 F ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 13 BRANCH 4 20 ATOM 20 C LIG 1 -0.893 -2.003 1.469 0.00 0.00 +0.153 C BRANCH 20 21 ATOM 21 C LIG 1 -1.734 -0.949 0.789 0.00 0.00 -0.029 A ATOM 22 C LIG 1 -1.639 0.394 1.171 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -2.398 1.387 0.532 0.00 0.00 -0.008 A ATOM 24 C LIG 1 -2.224 2.813 0.968 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -3.305 1.011 -0.473 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -3.345 -0.315 -0.934 0.00 0.00 -0.008 A ATOM 27 C LIG 1 -4.202 -0.743 -2.090 0.00 0.00 +0.047 C ATOM 28 C LIG 1 -2.575 -1.288 -0.278 0.00 0.00 +0.012 A BRANCH 25 29 ATOM 29 O LIG 1 -4.085 1.961 -1.080 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.353 2.213 -0.446 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -5.429 3.735 -0.209 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -6.448 1.889 -1.481 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -5.697 1.514 0.899 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -5.539 1.970 2.023 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.198 0.266 0.758 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -6.282 -0.056 1.681 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 9