REMARK Name = BDB038979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.839 0.938 0.494 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.808 0.031 0.660 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.421 0.415 0.406 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.395 -0.604 0.830 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.764 -1.846 1.397 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.788 -2.766 1.800 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.424 -2.504 1.636 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.069 -1.280 1.058 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.147 -0.692 0.750 0.00 0.00 -0.326 N ATOM 10 C LIG 1 0.109 0.541 0.172 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.412 0.754 0.127 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.223 -2.156 1.621 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.018 -0.348 0.662 0.00 0.00 +0.094 A ATOM 14 C LIG 1 6.114 -1.391 0.647 0.00 0.00 +0.116 C ATOM 15 O LIG 1 8.027 0.637 0.504 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.853 1.549 -0.408 0.00 0.00 +0.058 C ATOM 17 C LIG 1 -2.158 1.787 0.341 0.00 0.00 +0.030 C ATOM 18 C LIG 1 -2.881 2.985 -0.274 0.00 0.00 +0.108 C ATOM 19 N LIG 1 -2.988 2.899 -1.730 0.00 0.00 -0.302 N ATOM 20 C LIG 1 -3.725 3.804 -2.487 0.00 0.00 +0.212 C ATOM 21 O LIG 1 -3.961 3.640 -3.684 0.00 0.00 -0.276 OA ATOM 22 C LIG 1 -4.241 5.028 -1.771 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -2.484 1.691 -2.377 0.00 0.00 +0.108 C ATOM 24 C LIG 1 -1.077 1.321 -1.913 0.00 0.00 +0.030 C ENDBRANCH 10 16 BRANCH 1 26 ATOM 25 C LIG 1 7.423 3.180 0.142 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.389 2.211 0.314 0.00 0.00 -0.454 OA ENDBRANCH 1 26 BRANCH 9 27 ATOM 27 C LIG 1 -1.430 -1.302 1.066 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -2.130 -1.946 -0.137 0.00 0.00 +0.147 C BRANCH 28 29 ATOM 29 C LIG 1 -3.589 -2.264 0.159 0.00 0.00 -0.032 A ATOM 30 C LIG 1 -3.966 -3.049 1.260 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.311 -3.319 1.515 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.298 -2.814 0.672 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.939 -2.044 -0.432 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.594 -1.774 -0.690 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -1.367 -3.186 -0.556 0.00 0.00 +0.314 C ATOM 36 O LIG 1 -1.139 -4.169 0.130 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -0.910 -3.111 -1.822 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -0.423 -3.951 -1.961 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 9 27 TORSDOF 7