REMARK Name = BDB064206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.319 0.657 -0.227 0.00 0.00 +0.265 C ATOM 2 N LIG 1 1.183 1.315 -0.727 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -0.135 0.751 -0.448 0.00 0.00 +0.121 C ATOM 4 C LIG 1 -0.938 0.542 -1.738 0.00 0.00 +0.093 C ATOM 5 C LIG 1 -0.862 1.764 -2.679 0.00 0.00 +0.016 C ATOM 6 C LIG 1 -0.183 2.963 -2.017 0.00 0.00 +0.020 C ATOM 7 C LIG 1 1.196 2.572 -1.481 0.00 0.00 +0.108 C ATOM 8 O LIG 1 2.208 -0.432 0.346 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 6.099 0.955 0.025 0.00 0.00 +0.033 A ATOM 10 C LIG 1 4.787 0.474 0.115 0.00 0.00 +0.056 A ATOM 11 C LIG 1 3.712 1.229 -0.366 0.00 0.00 +0.127 A ATOM 12 N LIG 1 3.878 2.447 -0.934 0.00 0.00 -0.250 NA ATOM 13 C LIG 1 5.139 2.906 -1.023 0.00 0.00 +0.113 A ATOM 14 C LIG 1 6.252 2.210 -0.571 0.00 0.00 +0.043 A BRANCH 9 19 ATOM 15 C LIG 1 9.931 -2.616 1.670 0.00 0.00 +0.105 C ATOM 16 N LIG 1 9.546 -1.208 1.659 0.00 0.00 -0.302 NA ATOM 17 C LIG 1 8.281 -0.975 2.387 0.00 0.00 +0.103 C ATOM 18 C LIG 1 7.013 -0.831 1.511 0.00 0.00 +0.120 C ATOM 19 N LIG 1 7.179 0.226 0.495 0.00 0.00 -0.327 N ATOM 20 C LIG 1 8.565 0.542 0.104 0.00 0.00 +0.120 C ATOM 21 C LIG 1 9.474 -0.697 0.273 0.00 0.00 +0.103 C ENDBRANCH 9 19 ENDBRANCH 1 11 BRANCH 4 22 ATOM 22 C LIG 1 -2.373 0.184 -1.349 0.00 0.00 +0.222 C ATOM 23 N LIG 1 -2.479 -1.117 -0.877 0.00 0.00 -0.285 N ATOM 24 H LIG 1 -1.632 -1.677 -0.884 0.00 0.00 +0.155 HD ATOM 25 O LIG 1 -3.287 0.999 -1.434 0.00 0.00 -0.275 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.636 -1.771 -0.403 0.00 0.00 +0.034 A ATOM 27 C LIG 1 -4.894 -1.167 -0.299 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.011 -1.875 0.184 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -5.838 -3.215 0.563 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.589 -3.828 0.466 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.494 -3.108 -0.012 0.00 0.00 +0.023 A BRANCH 28 32 ATOM 32 C LIG 1 -7.328 -1.222 0.293 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -7.484 -0.045 1.042 0.00 0.00 +0.022 A ATOM 34 C LIG 1 -8.743 0.524 1.107 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -9.178 1.732 1.817 0.00 0.00 +0.245 C ATOM 36 N LIG 1 -10.525 1.875 1.562 0.00 0.00 -0.307 N ATOM 37 H LIG 1 -11.052 2.646 1.950 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 -11.055 0.833 0.717 0.00 0.00 +0.140 C ATOM 39 O LIG 1 -8.483 2.456 2.499 0.00 0.00 -0.270 OA ATOM 40 C LIG 1 -9.854 -0.015 0.461 0.00 0.00 -0.018 A ATOM 41 C LIG 1 -9.729 -1.172 -0.283 0.00 0.00 +0.006 A ATOM 42 C LIG 1 -8.462 -1.770 -0.361 0.00 0.00 +0.009 A ENDBRANCH 28 32 ENDBRANCH 23 26 ENDBRANCH 4 22 TORSDOF 5