REMARK Name = BDB021426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.092 0.778 0.031 0.00 0.00 -0.019 A ATOM 2 C LIG 1 2.841 0.204 -1.222 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.590 0.326 -1.857 0.00 0.00 +0.133 A ATOM 4 O LIG 1 1.547 -0.286 -3.076 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.379 -1.079 -3.241 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.747 -0.207 -3.754 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.457 0.504 -2.697 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.781 1.384 -1.836 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.318 2.425 -1.445 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.568 1.072 -1.270 0.00 0.00 +0.078 A ATOM 11 C LIG 1 0.830 1.653 -0.011 0.00 0.00 +0.017 A ATOM 12 C LIG 1 2.066 1.507 0.630 0.00 0.00 +0.009 A ENDROOT BRANCH 1 18 ATOM 13 C LIG 1 8.381 -0.997 3.448 0.00 0.00 +0.109 C ATOM 14 C LIG 1 7.938 0.371 2.989 0.00 0.00 +0.213 C ATOM 15 N LIG 1 6.869 0.423 2.100 0.00 0.00 -0.298 N ATOM 16 C LIG 1 6.514 1.723 1.535 0.00 0.00 +0.113 C ATOM 17 C LIG 1 5.003 1.863 1.348 0.00 0.00 +0.054 C ATOM 18 C LIG 1 4.410 0.644 0.685 0.00 0.00 -0.041 C ATOM 19 C LIG 1 5.070 -0.529 0.714 0.00 0.00 -0.004 C ATOM 20 C LIG 1 6.395 -0.754 1.380 0.00 0.00 +0.135 C ATOM 21 O LIG 1 8.508 1.376 3.413 0.00 0.00 -0.276 OA ENDBRANCH 1 18 BRANCH 7 22 ATOM 22 C LIG 1 -2.869 0.837 -2.948 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.824 -0.349 -3.209 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -5.172 0.109 -3.397 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -5.144 0.890 -3.975 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.789 -1.445 -2.114 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.902 -0.996 -0.711 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.218 -0.381 -0.440 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.492 -0.119 1.030 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -4.741 -0.750 2.035 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -5.031 -0.502 3.384 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.081 0.346 3.734 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.842 0.958 2.741 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.586 -1.638 1.657 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.551 0.726 1.396 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.683 -2.126 0.206 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 6