REMARK Name = BDB038709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.657 0.302 0.960 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.469 0.490 0.240 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.339 -0.264 0.547 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.374 -1.183 1.527 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.496 -1.369 2.262 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.646 -0.634 1.996 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.137 -0.085 -0.169 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.040 -0.802 0.061 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.316 -1.696 0.837 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.038 -0.279 -0.881 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.441 0.720 -1.635 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.171 1.378 -2.596 0.00 0.00 +0.129 A ATOM 13 C LIG 1 3.506 1.030 -2.800 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.114 0.010 -2.030 0.00 0.00 -0.030 A ATOM 15 F LIG 1 1.605 2.343 -3.330 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.360 -0.655 -1.050 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.028 0.902 -1.222 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.569 -0.347 -2.254 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 6.457 0.772 -1.922 0.00 0.00 -0.297 NA ATOM 20 C LIG 1 6.652 0.887 -0.443 0.00 0.00 +0.097 C ATOM 21 C LIG 1 8.120 0.984 -0.723 0.00 0.00 +0.043 C ATOM 22 C LIG 1 8.816 2.300 -0.622 0.00 0.00 +0.171 C ATOM 23 O LIG 1 9.814 1.709 0.265 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 9.125 0.424 0.219 0.00 0.00 +0.171 C ATOM 25 C LIG 1 7.887 0.363 -2.066 0.00 0.00 +0.097 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -6.115 0.463 0.315 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.875 1.071 0.630 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -4.814 2.480 0.650 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -5.939 3.264 0.375 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.159 2.657 0.082 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.245 1.263 0.059 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -4.848 -1.613 -1.696 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.728 -1.878 -0.590 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -6.308 -0.987 0.279 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -7.108 -1.664 1.083 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -7.018 -2.999 0.769 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -6.184 -3.112 -0.236 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.316 3.458 -0.192 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.243 4.114 -0.427 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -2.484 -2.405 3.360 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -1.242 -2.614 4.196 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -2.448 -1.964 4.806 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 7