REMARK Name = BDB040051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.157 0.233 1.185 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.056 -0.011 1.839 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.294 -0.413 2.963 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.129 0.321 0.892 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.497 0.242 1.072 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.327 0.623 0.006 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.744 1.062 -1.207 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.346 1.134 -1.374 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.553 0.753 -0.296 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.064 0.714 -0.172 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.928 0.170 1.429 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.604 0.330 0.949 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.461 0.051 1.724 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.663 -0.407 3.026 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.951 -0.586 3.534 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.063 -0.303 2.745 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.206 0.487 0.501 0.00 0.00 +0.080 C ATOM 18 C LIG 1 5.151 1.803 -0.341 0.00 0.00 +0.177 C ATOM 19 O LIG 1 6.524 2.114 0.029 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.391 1.237 1.177 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 5.649 -0.803 -0.212 0.00 0.00 +0.248 C ATOM 22 F LIG 1 6.520 -1.463 0.614 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 8.685 -0.787 -1.064 0.00 0.00 +0.151 C ATOM 24 N LIG 1 7.542 -0.640 -1.922 0.00 0.00 -0.318 N ATOM 25 C LIG 1 6.214 -0.654 -1.582 0.00 0.00 +0.168 A ATOM 26 N LIG 1 5.500 -0.525 -2.687 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 6.363 -0.402 -3.747 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 7.584 -0.473 -3.273 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.727 1.598 -2.665 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.923 2.682 -2.487 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.941 0.642 -3.230 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.635 1.952 -3.613 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.834 0.537 0.151 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -6.287 -0.852 0.180 0.00 0.00 -0.288 NA ATOM 35 C LIG 1 -7.729 -1.029 0.265 0.00 0.00 +0.070 C ATOM 36 C LIG 1 -8.286 -1.397 1.609 0.00 0.00 +0.184 C ATOM 37 O LIG 1 -9.378 -0.441 1.422 0.00 0.00 -0.376 OA ATOM 38 C LIG 1 -8.725 0.094 0.228 0.00 0.00 +0.184 C ATOM 39 C LIG 1 -7.716 -2.057 -0.831 0.00 0.00 +0.042 C ATOM 40 C LIG 1 -6.346 -1.429 -1.196 0.00 0.00 +0.087 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7