REMARK Name = BDB000129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.944 1.625 -0.846 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -2.894 0.701 -0.383 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -2.462 -0.457 0.271 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.116 -0.733 0.473 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -0.160 0.183 0.020 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.184 -0.163 0.270 0.00 0.00 +0.136 A ATOM 7 N LIG 1 1.515 -1.308 0.892 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 0.514 -2.106 1.267 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.790 -1.869 1.096 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.588 1.361 -0.647 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.506 3.664 -2.017 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.437 2.740 -1.474 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 2.201 0.731 -0.122 0.00 0.00 -0.268 N ATOM 14 H LIG 1 2.083 1.646 0.293 0.00 0.00 +0.156 HD BRANCH 13 15 ATOM 15 C LIG 1 3.572 0.486 -0.133 0.00 0.00 +0.221 A ATOM 16 N LIG 1 4.342 1.540 0.186 0.00 0.00 -0.221 NA ATOM 17 C LIG 1 5.686 1.361 0.158 0.00 0.00 +0.139 A ATOM 18 C LIG 1 6.296 0.176 -0.191 0.00 0.00 +0.070 A ATOM 19 C LIG 1 5.412 -0.830 -0.523 0.00 0.00 +0.139 A ATOM 20 N LIG 1 4.069 -0.700 -0.513 0.00 0.00 -0.221 NA BRANCH 18 21 ATOM 21 N LIG 1 7.685 -0.066 -0.244 0.00 0.00 -0.279 N ATOM 22 H LIG 1 7.969 -1.002 -0.505 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 8.679 0.825 0.117 0.00 0.00 +0.248 C ATOM 24 O LIG 1 8.506 1.941 0.590 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 10.072 0.329 -0.064 0.00 0.00 +0.037 A ATOM 26 C LIG 1 10.430 -0.493 -1.141 0.00 0.00 +0.013 A ATOM 27 C LIG 1 11.748 -0.936 -1.271 0.00 0.00 +0.001 A ATOM 28 C LIG 1 12.710 -0.554 -0.336 0.00 0.00 +0.000 A ATOM 29 C LIG 1 12.361 0.279 0.727 0.00 0.00 +0.001 A ATOM 30 C LIG 1 11.046 0.725 0.861 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 31 ATOM 31 O LIG 1 -4.209 1.031 -0.595 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.215 0.028 -0.440 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -5.813 0.099 0.964 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -6.835 -1.009 1.233 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 -7.949 -1.051 0.274 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -8.759 -2.273 0.484 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -9.966 -2.321 -0.466 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -10.803 -1.170 -0.295 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -10.048 0.022 -0.545 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -8.838 0.127 0.399 0.00 0.00 +0.112 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10