REMARK Name = BDB020642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.526 -0.557 -0.834 0.00 0.00 +0.110 A ATOM 2 N LIG 1 -1.448 0.068 0.450 0.00 0.00 -0.304 N ATOM 3 C LIG 1 -0.247 0.402 1.072 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -0.517 0.961 2.302 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.926 1.024 2.449 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.961 0.131 0.380 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.910 -0.426 -0.845 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.462 0.483 1.296 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -0.356 -0.790 -1.491 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -0.258 -1.427 -2.852 0.00 0.00 +0.048 C ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -2.721 1.534 3.557 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -2.255 1.405 4.873 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.006 1.894 5.945 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -4.228 2.521 5.713 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.700 2.660 4.410 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.951 2.170 3.337 0.00 0.00 +0.008 A ENDBRANCH 5 11 BRANCH 7 17 ATOM 17 C LIG 1 2.226 -0.649 -1.505 0.00 0.00 +0.245 C ATOM 18 N LIG 1 2.782 0.505 -1.995 0.00 0.00 -0.307 N ATOM 19 H LIG 1 2.322 1.394 -1.831 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 2.726 -1.762 -1.590 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 4.109 0.546 -2.566 0.00 0.00 +0.145 C BRANCH 21 22 ATOM 22 C LIG 1 5.082 0.984 -1.511 0.00 0.00 +0.037 A ATOM 23 C LIG 1 5.047 2.452 -1.204 0.00 0.00 +0.254 A ATOM 24 O LIG 1 4.245 3.211 -1.742 0.00 0.00 -0.268 OA ATOM 25 N LIG 1 5.948 2.910 -0.277 0.00 0.00 -0.326 N ATOM 26 H LIG 1 5.906 3.903 -0.085 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 6.850 2.117 0.387 0.00 0.00 +0.016 A ATOM 28 C LIG 1 7.751 2.787 1.377 0.00 0.00 +0.063 C ATOM 29 C LIG 1 6.878 0.803 0.123 0.00 0.00 +0.024 A ATOM 30 C LIG 1 5.977 0.209 -0.856 0.00 0.00 -0.039 A ATOM 31 C LIG 1 6.142 -1.276 -1.031 0.00 0.00 +0.044 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 7 17 BRANCH 1 32 ATOM 32 N LIG 1 -2.784 -0.894 -1.393 0.00 0.00 -0.313 N BRANCH 32 33 ATOM 33 C LIG 1 -3.725 -1.858 -0.732 0.00 0.00 +0.079 C ATOM 34 C LIG 1 -4.673 -2.554 -1.725 0.00 0.00 +0.050 C ATOM 35 C LIG 1 -3.945 -3.603 -2.549 0.00 0.00 +0.161 C ATOM 36 O LIG 1 -3.362 -4.583 -1.694 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -2.380 -4.011 -0.830 0.00 0.00 +0.161 C ATOM 38 C LIG 1 -3.002 -2.956 0.073 0.00 0.00 +0.050 C ENDBRANCH 32 33 BRANCH 32 40 ATOM 39 C LIG 1 -4.340 1.022 -1.803 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -3.342 0.043 -2.397 0.00 0.00 +0.103 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7