REMARK Name = BDB024845 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.356 -4.173 -0.311 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.545 -2.780 -0.344 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.775 -2.211 -0.948 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.008 -2.486 -0.068 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.730 -0.697 -1.211 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.362 -0.278 -1.698 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.376 -0.635 -0.625 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.310 0.221 -0.279 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.986 1.454 -0.792 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.095 1.847 -0.151 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.489 0.896 0.765 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.402 -0.154 0.701 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.493 -1.372 1.376 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.547 -2.222 1.016 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.483 -1.884 0.028 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -2.358 -4.760 0.096 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.260 -6.274 -0.869 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.414 -4.854 -0.847 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.664 0.956 1.620 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.952 0.624 0.888 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.886 -0.396 -0.036 0.00 0.00 -0.310 N ATOM 22 H LIG 1 2.046 -0.957 -0.111 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 4.005 1.205 1.149 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.060 -0.870 -0.734 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 4.654 -2.061 -0.044 0.00 0.00 -0.012 A ATOM 26 C LIG 1 5.647 -1.906 0.921 0.00 0.00 +0.115 A ATOM 27 N LIG 1 6.227 -2.933 1.585 0.00 0.00 -0.263 NA ATOM 28 C LIG 1 5.790 -4.175 1.285 0.00 0.00 +0.111 A ATOM 29 C LIG 1 4.796 -4.437 0.356 0.00 0.00 +0.020 A ATOM 30 C LIG 1 4.218 -3.362 -0.314 0.00 0.00 +0.008 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.792 3.147 -0.380 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 -0.034 4.310 0.176 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 0.724 5.560 0.168 0.00 0.00 -0.315 N ATOM 34 C LIG 1 1.605 5.798 1.225 0.00 0.00 +0.251 A ATOM 35 O LIG 1 1.768 5.039 2.178 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 2.384 7.064 1.149 0.00 0.00 +0.070 A ATOM 37 C LIG 1 2.231 7.887 0.104 0.00 0.00 +0.007 A ATOM 38 C LIG 1 1.317 7.559 -0.959 0.00 0.00 +0.018 A ATOM 39 C LIG 1 0.605 6.427 -0.903 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8