REMARK Name = BDB048821 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.624 0.464 0.195 0.00 0.00 +0.081 C ATOM 2 C LIG 1 -2.360 1.039 0.598 0.00 0.00 +0.169 C ATOM 3 C LIG 1 -1.316 0.045 0.462 0.00 0.00 -0.000 A ATOM 4 C LIG 1 -1.991 -1.109 0.024 0.00 0.00 -0.011 A ATOM 5 C LIG 1 -1.291 -2.282 -0.197 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.092 -2.275 0.012 0.00 0.00 +0.046 A ATOM 7 C LIG 1 0.767 -1.112 0.432 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.054 0.068 0.662 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -3.443 -0.836 -0.133 0.00 0.00 +0.002 C ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -4.499 -1.764 -0.547 0.00 0.00 -0.017 A ATOM 11 C LIG 1 -5.503 -2.150 0.350 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -6.504 -3.037 -0.052 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.507 -3.544 -1.350 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -5.510 -3.166 -2.248 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.509 -2.279 -1.849 0.00 0.00 +0.008 A ENDBRANCH 9 10 BRANCH 2 16 ATOM 16 N LIG 1 -2.144 2.445 0.693 0.00 0.00 -0.181 N ATOM 17 O LIG 1 -2.512 3.249 -0.425 0.00 0.00 -0.173 OA ATOM 18 C LIG 1 -1.546 3.037 1.882 0.00 0.00 +0.191 C ENDBRANCH 2 16 BRANCH 1 19 ATOM 19 C LIG 1 -4.879 1.234 0.224 0.00 0.00 +0.339 C ATOM 20 O LIG 1 -5.199 1.934 1.175 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 -5.563 1.070 -0.933 0.00 0.00 -0.462 OA BRANCH 21 23 ATOM 22 C LIG 1 -6.500 3.205 -1.576 0.00 0.00 +0.048 C ATOM 23 C LIG 1 -6.783 1.812 -1.044 0.00 0.00 +0.229 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 7 24 ATOM 24 O LIG 1 2.118 -1.272 0.583 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 2.880 -0.117 0.932 0.00 0.00 +0.229 C BRANCH 25 26 ATOM 26 C LIG 1 4.358 -0.500 0.998 0.00 0.00 +0.041 C BRANCH 26 27 ATOM 27 C LIG 1 4.901 -0.939 -0.368 0.00 0.00 +0.008 C BRANCH 27 28 ATOM 28 C LIG 1 6.373 -1.365 -0.316 0.00 0.00 +0.035 C BRANCH 28 29 ATOM 29 C LIG 1 7.323 -0.233 -0.009 0.00 0.00 -0.047 A ATOM 30 C LIG 1 7.572 0.765 -0.961 0.00 0.00 +0.003 A ATOM 31 C LIG 1 8.445 1.816 -0.674 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.077 1.879 0.566 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.838 0.891 1.520 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.966 -0.161 1.234 0.00 0.00 +0.003 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 11