REMARK Name = BDB043126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.192 1.750 1.188 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.447 0.294 1.320 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -3.037 -0.185 0.501 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -4.785 -0.124 1.483 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -5.324 -1.201 0.741 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -6.660 -1.601 0.926 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -7.451 -0.985 1.893 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -6.915 0.032 2.676 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -5.595 0.450 2.477 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -4.505 -1.880 -0.302 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -3.733 -1.216 -0.990 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 -4.597 -3.343 -0.529 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -4.460 -3.826 -1.839 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -4.541 -5.198 -2.086 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.739 -6.086 -1.030 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.857 -5.609 0.280 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.784 -4.239 0.535 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.726 2.063 1.576 0.00 0.00 +0.059 C BRANCH 18 22 ATOM 19 C LIG 1 1.469 0.321 -0.772 0.00 0.00 +0.121 A ATOM 20 C LIG 1 1.052 1.627 -1.012 0.00 0.00 +0.046 A ATOM 21 C LIG 1 0.012 2.184 -0.260 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -0.635 1.440 0.732 0.00 0.00 -0.045 A ATOM 23 C LIG 1 -0.229 0.119 0.948 0.00 0.00 +0.007 A ATOM 24 C LIG 1 0.811 -0.433 0.198 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 2.500 -0.329 -1.387 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 3.351 0.402 -2.278 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 4.361 1.284 -1.540 0.00 0.00 +0.100 C BRANCH 27 30 ATOM 28 C LIG 1 4.419 -0.156 1.511 0.00 0.00 +0.088 C ATOM 29 C LIG 1 5.400 -0.070 0.416 0.00 0.00 +0.126 A ATOM 30 C LIG 1 5.413 0.499 -0.840 0.00 0.00 +0.086 A ATOM 31 N LIG 1 6.631 0.262 -1.438 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 7.306 -0.433 -0.540 0.00 0.00 +0.228 A ATOM 33 O LIG 1 6.609 -0.674 0.616 0.00 0.00 -0.440 OA BRANCH 32 34 ATOM 34 C LIG 1 8.670 -0.953 -0.609 0.00 0.00 +0.037 A ATOM 35 C LIG 1 9.450 -0.704 -1.750 0.00 0.00 +0.013 A ATOM 36 C LIG 1 10.761 -1.181 -1.840 0.00 0.00 +0.001 A ATOM 37 C LIG 1 11.308 -1.915 -0.790 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.546 -2.173 0.349 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.236 -1.694 0.439 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 1 40 ATOM 40 C LIG 1 -3.588 2.256 -0.227 0.00 0.00 +0.126 C BRANCH 40 41 ATOM 41 N LIG 1 -4.264 3.547 -0.199 0.00 0.00 -0.312 N ATOM 42 H LIG 1 -5.270 3.546 -0.079 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.583 4.739 -0.206 0.00 0.00 +0.239 C ATOM 44 O LIG 1 -2.358 4.830 -0.257 0.00 0.00 -0.273 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.475 5.981 -0.164 0.00 0.00 +0.251 C BRANCH 45 46 ATOM 46 O LIG 1 -3.746 7.146 0.187 0.00 0.00 -0.386 OA ATOM 47 H LIG 1 -2.813 6.958 -0.051 0.00 0.00 +0.210 HD ENDBRANCH 45 46 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 15