REMARK Name = BDB034609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.767 1.149 -0.253 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.890 0.345 -0.292 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.710 -0.617 -0.010 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.697 2.342 -0.521 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.796 0.300 0.643 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.609 -1.051 0.965 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.345 -1.639 0.875 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.265 -0.916 0.491 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -0.459 0.399 0.183 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -1.685 1.043 0.247 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -1.149 -3.095 1.222 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -0.297 -3.976 0.336 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -1.784 -4.168 0.367 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -4.166 0.944 0.738 0.00 0.00 +0.120 C BRANCH 14 16 ATOM 15 C LIG 1 -6.577 0.658 0.291 0.00 0.00 +0.074 C ATOM 16 N LIG 1 -5.191 0.214 -0.033 0.00 0.00 -0.293 NA ATOM 17 C LIG 1 -4.987 0.394 -1.496 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -5.709 1.605 -2.151 0.00 0.00 +0.099 C ATOM 19 N LIG 1 -6.014 2.671 -1.191 0.00 0.00 -0.303 NA ATOM 20 C LIG 1 -6.627 3.829 -1.831 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -6.845 2.158 -0.083 0.00 0.00 +0.103 C BRANCH 15 23 ATOM 22 C LIG 1 -8.524 0.659 1.956 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -7.043 0.318 1.740 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -6.826 -1.163 2.074 0.00 0.00 +0.009 C ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 25 ATOM 25 C LIG 1 3.197 0.686 -0.675 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.172 -0.321 -0.597 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.524 -0.110 -0.951 0.00 0.00 -0.036 A ATOM 28 C LIG 1 5.850 1.190 -1.387 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.893 2.202 -1.472 0.00 0.00 +0.002 A ATOM 30 C LIG 1 3.569 1.951 -1.118 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 6.641 -1.280 -0.814 0.00 0.00 +0.045 C ATOM 32 C LIG 1 7.745 -1.354 -1.929 0.00 0.00 +0.090 C ATOM 33 C LIG 1 6.879 -2.394 -2.664 0.00 0.00 +0.251 C ATOM 34 F LIG 1 7.553 -3.421 -3.227 0.00 0.00 -0.206 F ATOM 35 F LIG 1 6.054 -1.903 -3.615 0.00 0.00 -0.206 F ATOM 36 C LIG 1 6.213 -2.707 -1.310 0.00 0.00 +0.090 C BRANCH 31 37 ATOM 37 C LIG 1 7.207 -1.326 0.620 0.00 0.00 +0.244 C ATOM 38 F LIG 1 6.179 -1.629 1.468 0.00 0.00 -0.236 F BRANCH 37 39 ATOM 39 C LIG 1 7.900 -0.066 1.010 0.00 0.00 +0.168 A ATOM 40 N LIG 1 7.443 0.862 1.910 0.00 0.00 -0.318 N ATOM 41 C LIG 1 6.234 0.826 2.690 0.00 0.00 +0.151 C ATOM 42 C LIG 1 8.370 1.859 1.929 0.00 0.00 +0.224 A ATOM 43 N LIG 1 9.344 1.569 1.101 0.00 0.00 -0.138 NA ATOM 44 N LIG 1 9.054 0.356 0.526 0.00 0.00 -0.132 NA ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 27 31 ENDBRANCH 2 25 TORSDOF 9