REMARK Name = BDB036353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.410 -1.075 -0.283 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -1.279 -2.363 -0.822 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.141 -2.732 -1.579 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.869 -1.786 -1.773 0.00 0.00 +0.024 A ATOM 5 S LIG 1 2.155 -2.457 -2.721 0.00 0.00 -0.096 S ATOM 6 C LIG 1 1.383 -3.966 -2.860 0.00 0.00 +0.046 A ATOM 7 C LIG 1 0.782 -0.475 -1.235 0.00 0.00 -0.019 A ATOM 8 C LIG 1 0.172 -3.983 -2.211 0.00 0.00 +0.016 A ATOM 9 C LIG 1 -0.379 -0.156 -0.499 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.619 -0.674 0.563 0.00 0.00 +0.060 C BRANCH 10 11 ATOM 11 C LIG 1 -3.959 -0.965 -0.139 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -4.494 -0.061 -1.097 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -3.796 1.214 -1.479 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -5.714 -0.395 -1.682 0.00 0.00 +0.068 A ATOM 15 N LIG 1 -6.464 0.342 -2.638 0.00 0.00 -0.262 N ATOM 16 H LIG 1 -6.607 1.292 -2.296 0.00 0.00 +0.168 HD ATOM 17 N LIG 1 -7.699 -0.377 -2.837 0.00 0.00 -0.161 NA ATOM 18 H LIG 1 -7.793 -0.575 -3.840 0.00 0.00 +0.168 HD ATOM 19 N LIG 1 -7.575 -1.637 -2.151 0.00 0.00 -0.252 N ATOM 20 C LIG 1 -8.752 -2.179 -1.486 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -6.397 -1.580 -1.389 0.00 0.00 +0.068 A ATOM 22 C LIG 1 -5.885 -2.475 -0.478 0.00 0.00 +0.026 A ATOM 23 C LIG 1 -4.670 -2.164 0.144 0.00 0.00 +0.006 A ENDBRANCH 10 11 BRANCH 10 24 ATOM 24 C LIG 1 -2.512 -1.275 1.980 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 -1.366 -0.700 2.773 0.00 0.00 +0.308 C ATOM 26 O LIG 1 -0.493 -1.376 3.302 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -1.477 0.653 2.877 0.00 0.00 -0.465 OA BRANCH 27 29 ATOM 28 C LIG 1 -0.682 2.769 3.642 0.00 0.00 +0.048 C ATOM 29 C LIG 1 -0.434 1.274 3.639 0.00 0.00 +0.229 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 10 24 ENDBRANCH 1 10 BRANCH 7 30 ATOM 30 C LIG 1 1.867 0.572 -1.405 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 3.058 0.300 -0.575 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 2.833 0.648 0.849 0.00 0.00 +0.109 C ATOM 33 C LIG 1 3.242 2.064 1.226 0.00 0.00 +0.100 A ATOM 34 C LIG 1 4.571 2.483 1.178 0.00 0.00 +0.144 A ATOM 35 C LIG 1 4.874 3.773 1.615 0.00 0.00 +0.049 A ATOM 36 C LIG 1 3.858 4.623 2.034 0.00 0.00 +0.023 A ATOM 37 C LIG 1 2.563 4.144 2.013 0.00 0.00 +0.111 A ATOM 38 O LIG 1 5.640 1.743 0.782 0.00 0.00 -0.486 OA ATOM 39 C LIG 1 5.539 0.860 -0.356 0.00 0.00 +0.187 C ATOM 40 N LIG 1 2.232 2.893 1.624 0.00 0.00 -0.255 NA ATOM 41 C LIG 1 4.237 0.947 -1.186 0.00 0.00 +0.130 C BRANCH 32 42 ATOM 42 C LIG 1 3.411 -0.396 1.836 0.00 0.00 +0.022 C ATOM 43 C LIG 1 2.908 -1.812 1.580 0.00 0.00 +0.006 C ENDBRANCH 32 42 BRANCH 39 44 ATOM 44 C LIG 1 6.777 1.205 -1.213 0.00 0.00 +0.042 C ATOM 45 C LIG 1 7.085 0.198 -2.311 0.00 0.00 +0.007 C ENDBRANCH 39 44 ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 10