REMARK Name = BDB021541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.093 0.197 -0.972 0.00 0.00 +0.122 A ATOM 2 C LIG 1 2.725 -1.053 -0.474 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.384 -1.401 -0.127 0.00 0.00 +0.045 A ATOM 4 N LIG 1 1.205 -2.716 0.335 0.00 0.00 -0.331 N ATOM 5 C LIG 1 0.005 -3.044 1.094 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -1.241 -2.950 0.229 0.00 0.00 +0.127 C ATOM 7 N LIG 1 -1.800 -1.610 0.221 0.00 0.00 -0.293 N ATOM 8 C LIG 1 -1.069 -0.436 0.078 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -1.654 0.645 0.211 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.678 -3.763 -0.587 0.00 0.00 +0.129 C ATOM 11 C LIG 1 0.402 -0.393 -0.252 0.00 0.00 +0.058 A ATOM 12 C LIG 1 0.797 0.868 -0.774 0.00 0.00 +0.018 A ATOM 13 C LIG 1 2.112 1.155 -1.139 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 4.351 0.586 -1.332 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 5.430 -0.272 -0.960 0.00 0.00 +0.233 C BRANCH 15 19 ATOM 16 C LIG 1 8.409 3.642 -0.411 0.00 0.00 +0.104 C ATOM 17 N LIG 1 8.280 2.223 -0.727 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 6.881 1.789 -0.712 0.00 0.00 +0.091 C ATOM 19 C LIG 1 6.762 0.388 -1.350 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.955 -0.521 -0.995 0.00 0.00 +0.009 C ATOM 21 C LIG 1 8.644 -0.054 0.281 0.00 0.00 +0.016 C ATOM 22 C LIG 1 9.112 1.404 0.168 0.00 0.00 +0.084 C ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 7 23 ATOM 23 C LIG 1 -3.271 -1.504 0.282 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.779 -1.058 1.666 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.165 -1.866 2.686 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.220 -1.628 2.647 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -5.310 -1.202 1.798 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -6.116 -0.506 0.778 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.918 0.958 0.838 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.873 1.742 -0.042 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -8.067 1.167 -0.511 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.937 1.921 -1.309 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.640 3.248 -1.616 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.469 3.829 -1.135 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.371 -0.276 -0.212 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.590 3.080 -0.352 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.544 -0.818 0.959 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 8