REMARK Name = BDB028875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.382 -3.566 0.205 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.503 -2.263 -0.239 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.781 -1.716 -0.235 0.00 0.00 -0.200 N ATOM 4 C LIG 1 1.008 -0.376 -0.632 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.057 0.348 -1.016 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.413 -0.304 -1.002 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.706 -2.618 0.208 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.597 -1.545 -0.627 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 0.998 -3.717 0.460 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.255 -5.807 -0.501 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.478 -4.573 0.377 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.645 -4.980 1.842 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.488 0.461 -1.396 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.306 1.356 -1.836 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.813 -0.068 -1.678 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -4.858 0.431 -0.672 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -4.914 1.957 -0.533 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -6.082 2.360 0.400 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -6.354 1.429 1.498 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -6.717 1.936 2.304 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -5.175 0.658 1.868 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -4.708 -0.234 0.713 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -5.067 2.564 -1.817 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -5.240 3.511 -1.675 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.326 0.089 -0.600 0.00 0.00 -0.323 N ATOM 26 H LIG 1 2.938 -0.580 -0.113 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.729 1.462 -0.313 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 C LIG 1 4.204 1.671 -0.103 0.00 0.00 +0.088 A ATOM 29 C LIG 1 5.045 2.653 -0.693 0.00 0.00 +0.024 A ATOM 30 C LIG 1 6.311 2.406 -0.164 0.00 0.00 +0.069 A ATOM 31 C LIG 1 7.431 3.181 -0.500 0.00 0.00 +0.028 A ATOM 32 C LIG 1 7.244 4.230 -1.405 0.00 0.00 +0.002 A ATOM 33 C LIG 1 5.989 4.493 -1.952 0.00 0.00 +0.001 A ATOM 34 N LIG 1 6.148 1.324 0.664 0.00 0.00 -0.266 N ATOM 35 C LIG 1 7.170 0.668 1.445 0.00 0.00 +0.173 C ATOM 36 C LIG 1 4.880 3.713 -1.606 0.00 0.00 +0.012 A ATOM 37 N LIG 1 4.881 0.875 0.741 0.00 0.00 -0.174 NA ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8