REMARK Name = BDB024822 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.805 -2.499 0.104 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.153 -1.311 0.481 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.971 -0.128 0.819 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.304 0.686 -0.438 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.332 0.712 1.920 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.959 1.184 1.501 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.129 0.049 0.977 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.721 0.190 0.945 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.953 1.257 1.348 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.298 0.920 1.110 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.366 -0.355 0.587 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.919 -0.831 0.455 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.453 -2.018 -0.039 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.850 -2.146 -0.017 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.710 -1.151 0.481 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.285 -3.584 -0.125 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.880 -3.512 -0.370 0.00 0.00 +0.282 C ATOM 18 O LIG 1 7.163 -2.339 0.017 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.582 -1.099 0.289 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.269 -0.624 -0.980 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.615 -0.976 -1.139 0.00 0.00 -0.300 N ATOM 22 C LIG 1 -4.201 -2.160 -0.502 0.00 0.00 +0.110 C ATOM 23 C LIG 1 -5.707 -2.036 -0.326 0.00 0.00 +0.050 C ATOM 24 C LIG 1 -6.382 -1.667 -1.641 0.00 0.00 +0.118 C ATOM 25 C LIG 1 -5.782 -0.380 -2.196 0.00 0.00 +0.050 C ATOM 26 C LIG 1 -4.274 -0.513 -2.362 0.00 0.00 +0.110 C ATOM 27 O LIG 1 -1.674 0.052 -1.821 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 O LIG 1 -7.776 -1.497 -1.408 0.00 0.00 -0.392 OA ATOM 29 H LIG 1 -8.191 -1.251 -2.254 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -1.472 1.811 1.354 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 -1.571 2.881 0.273 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 -2.693 3.769 0.511 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -3.952 3.336 0.285 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 -4.705 4.397 0.586 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -3.938 5.495 1.022 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -2.638 5.051 0.976 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7