REMARK Name = BDB021379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.144 -1.010 -3.423 0.00 0.00 +0.159 A ATOM 2 N LIG 1 -0.096 -0.691 -2.598 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.464 -1.093 -1.394 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.738 -1.631 -1.414 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.371 -2.123 -0.259 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.727 -2.152 0.878 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.452 -1.626 0.905 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.209 -1.075 -0.137 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -2.159 -1.619 -2.723 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.577 -0.547 0.081 0.00 0.00 -0.013 A ATOM 11 C LIG 1 1.859 0.336 1.132 0.00 0.00 +0.009 A ATOM 12 C LIG 1 3.154 0.830 1.321 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.208 0.464 0.465 0.00 0.00 -0.028 A ATOM 14 C LIG 1 3.915 -0.406 -0.594 0.00 0.00 +0.006 A ATOM 15 C LIG 1 2.619 -0.901 -0.784 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 5.601 1.031 0.729 0.00 0.00 +0.110 C ATOM 17 N LIG 1 5.588 2.502 0.566 0.00 0.00 -0.305 NA ATOM 18 H LIG 1 5.931 2.947 1.414 0.00 0.00 +0.123 HD ATOM 19 C LIG 1 6.402 2.940 -0.576 0.00 0.00 +0.109 C ATOM 20 C LIG 1 6.339 1.960 -1.752 0.00 0.00 +0.175 C ATOM 21 O LIG 1 6.866 0.667 -1.429 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 6.772 0.348 -0.033 0.00 0.00 +0.183 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 24 ATOM 23 N LIG 1 -1.109 -0.543 -5.973 0.00 0.00 -0.189 NA ATOM 24 C LIG 1 -1.105 -0.741 -4.828 0.00 0.00 +0.121 C ENDBRANCH 1 24 BRANCH 5 25 ATOM 25 N LIG 1 -3.663 -2.604 -0.283 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -3.841 -3.019 0.629 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.795 -1.754 -0.649 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -4.790 -0.440 0.078 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -5.011 -0.327 1.448 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.229 -1.371 2.477 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -5.684 -0.487 3.639 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -5.189 0.854 3.430 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -4.968 0.912 2.079 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -4.704 2.081 1.395 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.489 1.995 0.021 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -4.537 0.750 -0.620 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -4.319 0.707 -1.942 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 6