REMARK Name = BDB058570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.395 0.916 -0.484 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -6.681 0.318 0.556 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.408 -0.220 0.338 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.777 -0.113 -0.916 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.376 -0.677 -1.133 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -2.755 -0.366 -2.453 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -3.459 0.203 -3.511 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -4.917 0.548 -3.334 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -2.984 0.400 -4.636 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.486 0.487 -1.954 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.787 0.995 -1.736 0.00 0.00 +0.053 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -1.392 -0.801 -2.676 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -0.502 -0.031 -3.426 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.837 -0.420 -3.596 0.00 0.00 +0.025 A ATOM 15 C LIG 1 1.363 -1.592 -3.031 0.00 0.00 +0.030 A ATOM 16 C LIG 1 0.450 -2.361 -2.297 0.00 0.00 +0.025 A ATOM 17 C LIG 1 -0.893 -1.981 -2.123 0.00 0.00 +0.025 A BRANCH 15 18 ATOM 18 N LIG 1 2.704 -1.937 -3.182 0.00 0.00 -0.333 N ATOM 19 C LIG 1 3.462 -1.351 -4.287 0.00 0.00 +0.129 C BRANCH 18 20 ATOM 20 C LIG 1 3.355 -3.015 -2.423 0.00 0.00 +0.108 C BRANCH 20 21 ATOM 21 C LIG 1 4.041 -2.541 -1.119 0.00 0.00 +0.006 C ATOM 22 C LIG 1 3.058 -2.015 -0.056 0.00 0.00 +0.006 C ATOM 23 C LIG 1 3.805 -1.308 1.070 0.00 0.00 +0.019 C ATOM 24 C LIG 1 4.491 -0.023 0.553 0.00 0.00 +0.057 C ATOM 25 C LIG 1 4.926 -0.144 -0.926 0.00 0.00 +0.019 C ATOM 26 C LIG 1 5.226 -1.580 -1.351 0.00 0.00 +0.006 C BRANCH 24 27 ATOM 27 N LIG 1 5.537 0.410 1.496 0.00 0.00 -0.290 NA ATOM 28 C LIG 1 6.800 -0.343 1.451 0.00 0.00 +0.181 C ATOM 29 C LIG 1 7.716 0.044 2.625 0.00 0.00 +0.229 C ATOM 30 O LIG 1 8.433 -0.786 3.185 0.00 0.00 -0.274 OA ATOM 31 N LIG 1 7.726 1.402 2.946 0.00 0.00 -0.302 N ATOM 32 C LIG 1 8.715 1.907 3.876 0.00 0.00 +0.132 C ATOM 33 C LIG 1 7.136 2.326 1.990 0.00 0.00 +0.123 C ATOM 34 C LIG 1 5.755 1.865 1.478 0.00 0.00 +0.104 C ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 5 35 ATOM 35 C LIG 1 -2.453 -0.248 0.025 0.00 0.00 -0.022 A ATOM 36 C LIG 1 -2.016 1.084 0.142 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.179 1.465 1.192 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -0.769 0.524 2.135 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -1.201 -0.796 2.038 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -2.042 -1.181 0.994 0.00 0.00 +0.006 A ENDBRANCH 5 35 BRANCH 1 42 ATOM 41 C LIG 1 -9.383 2.009 -1.219 0.00 0.00 +0.277 C ATOM 42 O LIG 1 -8.645 1.382 -0.179 0.00 0.00 -0.491 OA ENDBRANCH 1 42 BRANCH 2 43 ATOM 43 O LIG 1 -7.250 0.204 1.802 0.00 0.00 -0.486 OA BRANCH 43 44 ATOM 44 C LIG 1 -6.654 1.115 2.741 0.00 0.00 +0.167 C ATOM 45 C LIG 1 -6.161 0.300 3.934 0.00 0.00 +0.051 C ATOM 46 C LIG 1 -7.718 2.121 3.174 0.00 0.00 +0.051 C ENDBRANCH 43 44 ENDBRANCH 2 43 TORSDOF 9