REMARK Name = BDB039097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.070 -1.121 -0.171 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.037 -0.305 -0.598 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.677 -0.792 -0.397 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.598 0.237 -0.626 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.896 1.547 -1.067 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.876 2.488 -1.252 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.533 2.163 -1.040 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.245 0.857 -0.625 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.934 0.192 -0.324 0.00 0.00 -0.319 N ATOM 10 C LIG 1 -0.606 -1.108 0.038 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.701 -1.280 -0.019 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.334 1.952 -1.277 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.241 -0.088 -0.419 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.221 0.749 -1.587 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.910 -2.141 0.490 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.538 -2.220 0.456 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.233 -1.963 1.796 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -3.001 -3.195 2.282 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -3.630 -4.016 1.155 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -3.830 -3.202 -0.116 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -2.501 -2.669 -0.655 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.384 -1.480 -0.131 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.293 -0.667 -0.562 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.288 0.769 -0.451 0.00 0.00 +0.129 C BRANCH 24 25 ATOM 25 C LIG 1 -2.465 1.990 0.463 0.00 0.00 -0.024 A ATOM 26 C LIG 1 -2.115 1.893 1.824 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -2.278 2.972 2.696 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -2.804 4.171 2.229 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.167 4.289 0.892 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.003 3.210 0.017 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -2.615 0.955 -1.942 0.00 0.00 +0.150 C BRANCH 31 32 ATOM 32 C LIG 1 -4.099 0.935 -2.162 0.00 0.00 +0.307 C ATOM 33 O LIG 1 -4.904 0.194 -1.625 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -4.497 1.831 -3.084 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -5.465 1.694 -3.159 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 9 24 TORSDOF 7