REMARK Name = BDB021659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.144 2.214 -1.071 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.824 0.865 -0.962 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.490 0.403 -1.023 0.00 0.00 +0.137 A ATOM 4 O LIG 1 1.439 -0.955 -0.883 0.00 0.00 -0.487 OA ATOM 5 C LIG 1 0.176 -1.613 -0.845 0.00 0.00 +0.188 C ATOM 6 C LIG 1 -0.627 -1.288 -2.102 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -1.490 -0.140 -1.863 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -1.015 1.042 -1.302 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.790 1.911 -0.897 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.476 -3.107 -0.772 0.00 0.00 +0.053 C ATOM 11 C LIG 1 0.449 1.320 -1.210 0.00 0.00 +0.079 A ATOM 12 C LIG 1 0.782 2.686 -1.312 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.107 3.124 -1.245 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 4.379 2.783 -1.026 0.00 0.00 -0.487 OA BRANCH 14 17 ATOM 15 N LIG 1 6.104 -0.115 -0.027 0.00 0.00 -0.297 NA ATOM 16 C LIG 1 5.722 1.220 0.449 0.00 0.00 +0.129 C ATOM 17 C LIG 1 5.582 2.048 -0.839 0.00 0.00 +0.189 C ATOM 18 C LIG 1 5.978 1.122 -1.987 0.00 0.00 +0.061 C ATOM 19 C LIG 1 6.816 0.060 -1.290 0.00 0.00 +0.088 C BRANCH 15 20 ATOM 20 C LIG 1 6.756 -0.973 0.961 0.00 0.00 +0.112 C BRANCH 20 21 ATOM 21 C LIG 1 8.162 -0.579 1.445 0.00 0.00 +0.174 C BRANCH 21 23 ATOM 22 C LIG 1 9.894 -1.226 2.912 0.00 0.00 +0.194 C ATOM 23 O LIG 1 8.598 -1.534 2.418 0.00 0.00 -0.382 OA ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 14 17 ENDBRANCH 1 14 BRANCH 7 24 ATOM 24 C LIG 1 -2.947 -0.354 -1.893 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -3.493 -0.911 -0.561 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -2.998 -2.252 -0.361 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -3.409 -2.819 -1.036 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -5.041 -0.951 -0.520 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.736 0.318 -0.784 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -7.202 0.141 -0.789 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -7.838 0.030 0.581 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.192 0.542 1.722 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -7.817 0.457 2.973 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -9.085 -0.110 3.090 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.737 -0.600 1.960 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.803 1.123 1.612 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -9.119 -0.527 0.711 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.391 1.398 0.159 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 10