REMARK Name = BDB056103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.911 -1.992 -0.613 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -0.478 -2.009 -0.431 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.964 -2.784 0.610 0.00 0.00 +0.233 A ATOM 4 O LIG 1 -2.321 -2.694 0.661 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 -2.724 -1.869 -0.352 0.00 0.00 +0.138 A ATOM 6 N LIG 1 -0.254 -3.526 1.468 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.054 -3.449 1.201 0.00 0.00 +0.227 A ATOM 8 C LIG 1 -1.617 -1.426 -1.050 0.00 0.00 +0.063 A ATOM 9 N LIG 1 1.663 -2.737 0.233 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.164 -1.647 -0.470 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -4.681 -0.826 -1.480 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -6.060 -0.613 -1.593 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -6.950 -1.210 -0.700 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -6.450 -2.031 0.306 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.069 -2.245 0.419 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 O LIG 1 -8.266 -0.917 -0.924 0.00 0.00 -0.491 OA BRANCH 16 17 ATOM 17 C LIG 1 -9.218 -1.423 0.012 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 C LIG 1 -10.636 -0.942 -0.360 0.00 0.00 +0.125 C BRANCH 18 19 ATOM 19 N LIG 1 -10.982 0.467 -0.110 0.00 0.00 -0.299 NA ATOM 20 C LIG 1 -10.246 1.429 -0.936 0.00 0.00 +0.084 C ATOM 21 C LIG 1 -9.267 2.292 -0.143 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -9.976 3.066 0.968 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -11.192 2.319 1.517 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -11.061 0.811 1.312 0.00 0.00 +0.084 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 25 ATOM 25 N LIG 1 1.513 -1.250 -1.624 0.00 0.00 -0.328 N ATOM 26 H LIG 1 0.945 -0.486 -1.966 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 2.942 -0.975 -1.513 0.00 0.00 +0.107 C BRANCH 27 28 ATOM 28 C LIG 1 3.235 0.102 -0.461 0.00 0.00 +0.054 C BRANCH 28 32 ATOM 29 C LIG 1 7.454 1.076 -0.339 0.00 0.00 +0.035 A ATOM 30 C LIG 1 6.557 1.881 -1.052 0.00 0.00 +0.023 A ATOM 31 C LIG 1 5.193 1.573 -1.093 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.701 0.456 -0.411 0.00 0.00 -0.046 A ATOM 33 C LIG 1 5.596 -0.346 0.305 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.960 -0.035 0.344 0.00 0.00 +0.023 A BRANCH 29 37 ATOM 35 O LIG 1 9.845 -0.401 0.572 0.00 0.00 -0.252 OA ATOM 36 C LIG 1 9.894 0.746 0.149 0.00 0.00 +0.308 C ATOM 37 N LIG 1 8.810 1.463 -0.340 0.00 0.00 -0.269 N ATOM 38 H LIG 1 9.035 2.277 -0.890 0.00 0.00 +0.156 HD ATOM 39 N LIG 1 11.043 1.524 0.084 0.00 0.00 -0.269 N ATOM 40 H LIG 1 10.896 2.514 -0.033 0.00 0.00 +0.156 HD BRANCH 39 41 ATOM 41 C LIG 1 12.366 1.129 0.373 0.00 0.00 +0.035 A ATOM 42 C LIG 1 13.341 2.134 0.412 0.00 0.00 +0.023 A ATOM 43 C LIG 1 14.677 1.824 0.681 0.00 0.00 +0.002 A ATOM 44 C LIG 1 15.051 0.503 0.909 0.00 0.00 +0.000 A ATOM 45 C LIG 1 14.091 -0.505 0.865 0.00 0.00 +0.002 A ATOM 46 C LIG 1 12.754 -0.194 0.595 0.00 0.00 +0.023 A ENDBRANCH 39 41 ENDBRANCH 29 37 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 11