REMARK Name = BDB010719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.422 0.724 0.506 0.00 0.00 -0.307 N ATOM 2 C LIG 1 -0.616 0.701 1.410 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.286 1.699 2.313 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.999 1.994 3.411 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -2.073 1.201 3.538 0.00 0.00 +0.203 A ATOM 6 N LIG 1 -2.484 0.222 2.710 0.00 0.00 -0.208 NA ATOM 7 N LIG 1 0.844 2.366 1.946 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.773 -0.051 1.598 0.00 0.00 +0.149 A ATOM 9 C LIG 1 1.228 1.798 0.828 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.909 1.462 4.731 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.537 2.423 5.594 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.726 3.016 5.531 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.457 2.451 6.566 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.460 3.199 7.530 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.405 1.495 6.295 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.005 0.864 5.072 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 N LIG 1 2.276 2.170 0.038 0.00 0.00 -0.289 N ATOM 18 C LIG 1 1.981 3.396 -0.782 0.00 0.00 +0.132 C ATOM 19 C LIG 1 3.292 4.132 -1.160 0.00 0.00 +0.187 C ATOM 20 O LIG 1 4.027 4.604 -0.017 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 3.855 3.770 1.141 0.00 0.00 +0.179 C ATOM 22 C LIG 1 3.557 2.307 0.787 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 1.158 3.015 -2.006 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -0.207 3.348 -2.056 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -0.991 2.984 -3.151 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -0.424 2.279 -4.211 0.00 0.00 +0.000 A ATOM 27 C LIG 1 0.925 1.934 -4.174 0.00 0.00 +0.000 A ATOM 28 C LIG 1 1.711 2.297 -3.078 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 9 17 BRANCH 8 29 ATOM 29 N LIG 1 -2.199 -1.034 0.716 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -1.953 -0.843 -0.246 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.555 -1.571 0.873 0.00 0.00 +0.072 C ATOM 32 C LIG 1 -3.580 -2.940 0.190 0.00 0.00 +0.028 C BRANCH 31 33 ATOM 33 C LIG 1 -4.593 -0.599 0.298 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -6.073 -1.041 0.102 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -6.123 -0.068 -1.096 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -4.595 -0.250 -1.219 0.00 0.00 +0.005 C ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 8 29 BRANCH 1 37 ATOM 37 C LIG 1 0.670 -0.224 -0.566 0.00 0.00 +0.128 C BRANCH 37 41 ATOM 38 C LIG 1 3.552 -3.277 -0.876 0.00 0.00 -0.011 C ATOM 39 C LIG 1 3.191 -2.900 0.576 0.00 0.00 +0.004 C ATOM 40 C LIG 1 2.469 -1.560 0.638 0.00 0.00 +0.005 C ATOM 41 C LIG 1 1.106 -1.621 -0.080 0.00 0.00 +0.009 C ATOM 42 C LIG 1 1.115 -2.627 -1.249 0.00 0.00 +0.005 C ATOM 43 C LIG 1 2.497 -2.770 -1.881 0.00 0.00 +0.004 C BRANCH 38 45 ATOM 44 C LIG 1 4.485 -5.229 -2.251 0.00 0.00 +0.004 C ATOM 45 C LIG 1 3.791 -4.797 -0.965 0.00 0.00 -0.000 C ENDBRANCH 38 45 ENDBRANCH 37 41 ENDBRANCH 1 37 TORSDOF 9