REMARK Name = BDB029309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.934 -0.269 1.222 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.138 -0.059 2.095 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.173 0.166 3.291 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.367 -0.168 1.296 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.679 -0.047 1.716 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.692 -0.200 0.760 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.343 -0.480 -0.588 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.000 -0.593 -0.999 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.019 -0.434 -0.023 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.470 -0.506 -0.139 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.691 -0.433 0.833 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -3.299 -0.485 0.576 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -2.317 -0.212 1.550 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.754 0.125 2.834 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.115 0.207 3.125 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.063 -0.061 2.138 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.777 -0.775 -0.324 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -7.156 -1.393 0.118 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.511 -2.795 -0.007 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -5.552 -2.163 -1.044 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.378 -3.836 -0.512 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -8.081 -4.657 -0.934 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.891 0.376 -1.345 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -8.757 1.634 -0.910 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -7.486 2.228 -0.590 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.228 1.706 -0.760 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -5.350 2.611 -0.367 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -6.033 3.716 0.080 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -7.313 3.472 -0.061 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.641 -0.913 -2.425 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.224 -2.202 -2.566 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.618 -0.143 -2.892 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.667 -0.750 -3.304 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.147 -0.108 1.167 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.851 0.894 0.371 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.341 1.775 0.436 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.237 1.103 0.821 0.00 0.00 +0.082 C ATOM 38 C LIG 1 8.173 -0.049 0.496 0.00 0.00 +0.055 C ATOM 39 C LIG 1 8.667 0.254 -0.920 0.00 0.00 +0.066 C ATOM 40 C LIG 1 10.113 -0.205 -1.113 0.00 0.00 +0.041 C ATOM 41 C LIG 1 7.783 -0.362 -2.008 0.00 0.00 +0.041 C ATOM 42 O LIG 1 8.625 1.685 -1.065 0.00 0.00 -0.372 OA ATOM 43 C LIG 1 7.910 2.246 0.048 0.00 0.00 +0.179 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9