REMARK Name = BDB018590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.350 4.524 -3.904 0.00 0.00 +0.152 C ATOM 2 N LIG 1 0.415 3.920 -2.966 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.709 4.632 -2.574 0.00 0.00 +0.252 A ATOM 4 O LIG 1 -1.004 5.760 -2.957 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -1.601 3.943 -1.610 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.334 2.699 -1.170 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -0.131 1.992 -1.642 0.00 0.00 +0.009 A ATOM 8 C LIG 1 0.678 2.642 -2.505 0.00 0.00 +0.098 A ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -2.285 2.158 -0.180 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.558 1.729 -0.551 0.00 0.00 +0.123 A ATOM 11 N LIG 1 -4.463 1.200 0.304 0.00 0.00 -0.221 NA ATOM 12 C LIG 1 -4.088 1.095 1.595 0.00 0.00 +0.215 A ATOM 13 C LIG 1 -2.848 1.498 2.067 0.00 0.00 +0.068 A ATOM 14 C LIG 1 -1.934 2.038 1.166 0.00 0.00 +0.015 A BRANCH 12 15 ATOM 15 O LIG 1 -4.937 0.541 2.529 0.00 0.00 -0.476 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.218 0.141 2.039 0.00 0.00 +0.234 C BRANCH 16 17 ATOM 17 C LIG 1 -6.315 -1.344 1.823 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -5.168 -2.181 1.311 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -5.621 -2.321 2.740 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 6 9 BRANCH 7 20 ATOM 20 C LIG 1 0.194 0.662 -1.211 0.00 0.00 +0.022 A ATOM 21 C LIG 1 1.429 0.232 -0.776 0.00 0.00 +0.123 A ATOM 22 N LIG 1 1.328 -1.114 -0.495 0.00 0.00 -0.238 N ATOM 23 N LIG 1 0.043 -1.537 -0.646 0.00 0.00 -0.174 NA ATOM 24 C LIG 1 -0.619 -0.478 -1.113 0.00 0.00 +0.143 A BRANCH 22 25 ATOM 25 C LIG 1 2.330 -2.034 -0.054 0.00 0.00 +0.083 A ATOM 26 C LIG 1 3.721 -1.829 -0.209 0.00 0.00 +0.081 A ATOM 27 C LIG 1 4.654 -2.766 0.318 0.00 0.00 -0.025 A ATOM 28 C LIG 1 4.150 -3.922 0.942 0.00 0.00 +0.005 A ATOM 29 C LIG 1 2.784 -4.151 1.060 0.00 0.00 +0.002 A ATOM 30 C LIG 1 1.881 -3.216 0.566 0.00 0.00 +0.029 A BRANCH 27 31 ATOM 31 C LIG 1 6.159 -2.590 0.181 0.00 0.00 +0.020 C ATOM 32 C LIG 1 6.847 -1.428 0.863 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.072 -2.820 1.366 0.00 0.00 +0.009 C ENDBRANCH 27 31 BRANCH 26 34 ATOM 34 C LIG 1 4.258 -0.746 -0.988 0.00 0.00 +0.102 C ATOM 35 N LIG 1 4.688 0.127 -1.622 0.00 0.00 -0.191 NA ENDBRANCH 26 34 ENDBRANCH 22 25 ENDBRANCH 7 20 TORSDOF 8