REMARK Name = BDB042135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.866 -2.463 -0.110 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 6.170 0.513 0.101 0.00 0.00 -0.282 N ATOM 3 C LIG 1 6.190 -0.628 0.890 0.00 0.00 +0.248 C ATOM 4 O LIG 1 7.107 -1.075 1.550 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.867 -1.249 0.774 0.00 0.00 +0.044 A ATOM 6 C LIG 1 4.124 -0.516 -0.150 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.828 -0.890 -0.461 0.00 0.00 +0.013 A ATOM 8 C LIG 1 2.282 -2.018 0.182 0.00 0.00 +0.002 A ATOM 9 C LIG 1 3.068 -2.738 1.109 0.00 0.00 +0.129 A ATOM 10 F LIG 1 2.562 -3.828 1.705 0.00 0.00 -0.205 F ATOM 11 C LIG 1 4.373 -2.364 1.417 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.946 0.609 -0.683 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 11.369 2.128 -0.746 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 10.196 1.837 -0.533 0.00 0.00 +0.219 C ATOM 15 N LIG 1 9.555 0.888 -1.289 0.00 0.00 -0.255 N ATOM 16 H LIG 1 10.116 0.432 -1.996 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.218 0.563 -1.282 0.00 0.00 +0.240 C ATOM 18 O LIG 1 7.757 -0.190 -2.139 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.353 1.294 -0.243 0.00 0.00 +0.163 C ATOM 20 C LIG 1 8.195 1.704 0.965 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.361 2.561 0.498 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.086 -2.063 0.940 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 -0.435 -0.631 0.901 0.00 0.00 +0.090 C ATOM 24 C LIG 1 -1.533 -0.507 -0.146 0.00 0.00 +0.023 C ATOM 25 C LIG 1 -2.152 -1.898 -0.242 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -3.632 -1.696 0.053 0.00 0.00 +0.090 C ATOM 27 N LIG 1 -3.854 -0.293 -0.345 0.00 0.00 -0.291 NA ATOM 28 C LIG 1 -2.688 0.417 0.214 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.387 -2.743 0.766 0.00 0.00 +0.090 C BRANCH 27 30 ATOM 30 C LIG 1 -5.144 0.245 0.164 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -5.336 1.735 -0.142 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -5.797 2.603 0.862 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.992 3.961 0.598 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.733 4.470 -0.672 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.282 3.623 -1.682 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.087 2.265 -1.420 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -6.361 -0.553 -0.320 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -6.508 -0.936 -1.664 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.631 -1.649 -2.087 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -8.628 -1.984 -1.173 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -8.504 -1.606 0.162 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -7.381 -0.893 0.586 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 27 30 ENDBRANCH 1 22 TORSDOF 6