REMARK Name = BDB022767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.479 -3.224 0.358 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.206 -2.211 -0.323 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.658 -1.031 0.137 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.327 -1.377 1.019 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.424 -2.709 1.208 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.245 -2.391 -1.315 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.405 -1.654 -1.200 0.00 0.00 -0.307 N ATOM 8 H LIG 1 4.074 -1.985 -1.887 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.131 -3.176 -2.251 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 3.945 -1.213 0.066 0.00 0.00 +0.142 C BRANCH 10 11 ATOM 11 C LIG 1 5.307 -0.585 -0.109 0.00 0.00 -0.002 A ATOM 12 C LIG 1 5.566 0.796 -0.285 0.00 0.00 +0.074 A ATOM 13 C LIG 1 6.903 1.257 -0.273 0.00 0.00 +0.031 A ATOM 14 C LIG 1 7.971 0.367 -0.155 0.00 0.00 +0.040 A ATOM 15 C LIG 1 7.715 -0.987 -0.040 0.00 0.00 +0.124 A ATOM 16 F LIG 1 8.734 -1.848 0.067 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.410 -1.464 -0.013 0.00 0.00 +0.045 A BRANCH 12 18 ATOM 18 N LIG 1 4.556 1.780 -0.474 0.00 0.00 -0.200 N ATOM 19 N LIG 1 4.783 3.091 -0.209 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 3.635 3.717 -0.424 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 2.684 2.851 -0.886 0.00 0.00 -0.116 NA ATOM 22 C LIG 1 3.275 1.680 -0.952 0.00 0.00 +0.250 A ENDBRANCH 12 18 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 23 ATOM 23 C LIG 1 0.681 -4.705 0.252 0.00 0.00 +0.217 C BRANCH 23 25 ATOM 24 C LIG 1 1.762 -5.255 2.288 0.00 0.00 +0.194 C ATOM 25 O LIG 1 1.901 -5.135 0.877 0.00 0.00 -0.377 OA ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 4 26 ATOM 26 C LIG 1 -1.182 -0.466 1.772 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 C LIG 1 -2.120 0.293 0.868 0.00 0.00 -0.026 A ATOM 28 C LIG 1 -1.885 1.640 0.558 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.750 2.334 -0.292 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.866 1.695 -0.849 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -4.102 0.350 -0.536 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -3.236 -0.345 0.311 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -4.813 2.444 -1.761 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 N LIG 1 -6.030 2.872 -1.074 0.00 0.00 -0.311 N ATOM 35 C LIG 1 -7.176 2.085 -1.195 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -7.258 1.053 -1.856 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 -8.377 2.566 -0.457 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -8.318 3.685 0.275 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -7.094 4.437 0.361 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -6.006 4.021 -0.299 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 10