REMARK Name = BDB043058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.447 4.259 0.774 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -1.569 2.922 0.444 0.00 0.00 +0.163 A ATOM 3 N LIG 1 -0.272 2.428 0.248 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -0.060 1.067 -0.113 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -1.147 0.286 -0.255 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -2.500 0.884 -0.018 0.00 0.00 +0.124 A ATOM 7 N LIG 1 0.656 3.411 0.456 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -2.680 2.140 0.309 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 -0.058 4.491 0.761 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.455 5.766 2.504 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -2.550 5.228 1.075 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -2.579 6.381 0.069 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -3.654 0.146 -0.135 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -4.438 0.699 0.205 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.755 -1.267 0.192 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -5.179 -1.783 -0.073 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -5.312 -3.252 0.365 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -6.701 -3.804 -0.003 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -7.016 -3.660 -1.425 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -6.350 -4.199 -1.980 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -6.947 -2.254 -1.829 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -5.571 -1.649 -1.555 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -5.102 -3.343 1.773 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -5.260 -4.266 2.040 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 1.221 0.557 -0.327 0.00 0.00 -0.322 N ATOM 26 H LIG 1 1.300 -0.455 -0.398 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.496 1.176 0.053 0.00 0.00 +0.181 C BRANCH 27 28 ATOM 28 C LIG 1 3.706 0.278 -0.056 0.00 0.00 +0.169 A ATOM 29 N LIG 1 3.603 -1.056 -0.195 0.00 0.00 -0.148 NA ATOM 30 N LIG 1 4.901 -1.441 -0.254 0.00 0.00 -0.220 N ATOM 31 C LIG 1 5.719 -0.321 -0.140 0.00 0.00 +0.156 A ATOM 32 C LIG 1 7.127 -0.519 -0.176 0.00 0.00 +0.052 A ATOM 33 C LIG 1 7.660 -1.758 -0.319 0.00 0.00 -0.039 A ATOM 34 C LIG 1 6.749 -2.909 -0.435 0.00 0.00 +0.024 A ATOM 35 C LIG 1 5.418 -2.723 -0.401 0.00 0.00 +0.115 A ATOM 36 N LIG 1 4.988 0.763 -0.012 0.00 0.00 -0.210 NA BRANCH 33 37 ATOM 37 C LIG 1 9.127 -1.976 -0.359 0.00 0.00 +0.019 C ATOM 38 C LIG 1 9.748 -3.029 -1.239 0.00 0.00 +0.009 C ATOM 39 C LIG 1 9.764 -3.194 0.257 0.00 0.00 +0.009 C ENDBRANCH 33 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 9