REMARK Name = BDB022657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.384 -3.011 -0.413 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -0.729 -2.944 0.358 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -5.233 -0.954 -2.035 0.00 0.00 +0.019 A ATOM 4 C LIG 1 -4.398 -0.940 -0.935 0.00 0.00 +0.166 A ATOM 5 N LIG 1 -3.416 -1.859 -1.186 0.00 0.00 -0.183 N ATOM 6 C LIG 1 -2.407 -2.097 -0.237 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -2.447 -1.428 0.886 0.00 0.00 -0.181 NA ATOM 8 C LIG 1 -3.446 -0.498 1.086 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -3.562 -2.500 -2.370 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -4.395 -0.244 0.227 0.00 0.00 -0.195 NA ATOM 11 C LIG 1 -4.663 -1.939 -2.880 0.00 0.00 +0.141 A BRANCH 3 13 ATOM 12 C LIG 1 -7.571 -0.442 -1.278 0.00 0.00 +0.012 C ATOM 13 C LIG 1 -6.464 -0.139 -2.290 0.00 0.00 +0.018 C ATOM 14 C LIG 1 -6.162 1.361 -2.323 0.00 0.00 +0.012 C ENDBRANCH 3 13 BRANCH 8 15 ATOM 15 N LIG 1 -3.369 0.151 2.285 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -2.716 -0.291 2.919 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -4.434 0.921 2.909 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -5.680 0.073 3.155 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -6.777 0.902 3.817 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -6.723 2.292 3.496 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -6.226 2.539 2.184 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -4.742 2.209 2.136 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 8 15 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -0.724 -3.281 -1.676 0.00 0.00 +0.139 C BRANCH 23 24 ATOM 24 C LIG 1 0.076 -2.087 -2.136 0.00 0.00 -0.029 A ATOM 25 C LIG 1 1.268 -1.726 -1.482 0.00 0.00 +0.028 A ATOM 26 C LIG 1 2.014 -0.611 -1.893 0.00 0.00 +0.034 A ATOM 27 C LIG 1 1.552 0.150 -2.966 0.00 0.00 +0.023 A ATOM 28 C LIG 1 0.368 -0.196 -3.621 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -0.366 -1.306 -3.209 0.00 0.00 +0.005 A BRANCH 26 30 ATOM 30 N LIG 1 3.192 -0.323 -1.173 0.00 0.00 -0.282 N ATOM 31 H LIG 1 3.408 -0.947 -0.408 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 4.107 0.673 -1.433 0.00 0.00 +0.241 C ATOM 33 O LIG 1 4.125 1.451 -2.378 0.00 0.00 -0.271 OA BRANCH 32 34 ATOM 34 C LIG 1 5.231 0.720 -0.457 0.00 0.00 +0.064 C ATOM 35 C LIG 1 5.078 0.569 0.869 0.00 0.00 -0.007 C BRANCH 35 36 ATOM 36 C LIG 1 6.128 0.644 1.948 0.00 0.00 +0.112 C BRANCH 36 37 ATOM 37 N LIG 1 7.530 0.789 1.593 0.00 0.00 -0.299 NA ATOM 38 C LIG 1 7.925 2.115 1.124 0.00 0.00 +0.085 C ATOM 39 C LIG 1 9.165 2.098 0.224 0.00 0.00 +0.015 C ATOM 40 C LIG 1 10.228 1.151 0.763 0.00 0.00 +0.002 C ATOM 41 C LIG 1 9.672 -0.253 1.015 0.00 0.00 +0.015 C ATOM 42 C LIG 1 8.146 -0.338 0.910 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 34 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10