REMARK Name = BDB011087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.599 1.201 0.083 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -0.839 0.147 0.575 0.00 0.00 -0.324 N ATOM 3 C LIG 1 -1.159 -0.981 -0.159 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.002 -0.507 -1.152 0.00 0.00 +0.182 A ATOM 5 N LIG 1 -2.507 -1.256 -2.143 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.125 -2.530 -2.077 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.328 -3.107 -1.147 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -0.838 -2.335 -0.148 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.262 0.816 -0.990 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.615 -3.442 -3.136 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.286 -4.744 -3.080 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.730 -5.204 -2.380 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.848 -5.334 -4.143 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.767 -6.517 -4.429 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.528 -4.381 -4.859 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.348 -3.144 -4.159 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.023 -3.018 0.841 0.00 0.00 +0.022 A ATOM 18 C LIG 1 1.238 -3.537 0.516 0.00 0.00 +0.033 A ATOM 19 C LIG 1 1.997 -4.178 1.489 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 3.555 -4.789 1.115 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 1.471 -4.298 2.765 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.251 -3.829 3.118 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -0.471 -3.222 2.146 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -2.542 2.638 1.929 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -1.657 2.595 0.676 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 C LIG 1 -2.014 3.665 -0.361 0.00 0.00 -0.020 A ATOM 27 C LIG 1 -3.294 3.828 -0.939 0.00 0.00 +0.056 A ATOM 28 C LIG 1 -3.506 4.830 -1.903 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -2.468 5.668 -2.306 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -1.204 5.513 -1.752 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -0.978 4.522 -0.795 0.00 0.00 +0.005 A BRANCH 27 32 ATOM 32 C LIG 1 -4.428 3.018 -0.584 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -5.375 2.423 -0.274 0.00 0.00 -0.191 NA ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 0.140 0.227 1.650 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.600 0.131 1.170 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.547 -0.089 2.353 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.979 -0.371 1.887 0.00 0.00 +0.003 C ATOM 38 C LIG 1 4.414 0.435 0.649 0.00 0.00 -0.014 C ATOM 39 C LIG 1 4.462 -0.440 -0.608 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.532 1.669 0.442 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.035 1.357 0.346 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7