REMARK Name = BDB039390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.071 0.096 -0.510 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.826 0.179 0.854 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.601 0.463 1.745 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.403 -0.124 1.047 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.820 -0.286 -0.205 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.468 -0.574 -0.317 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.688 -0.704 0.854 0.00 0.00 +0.001 A ATOM 8 C LIG 1 1.327 -0.541 2.113 0.00 0.00 +0.011 A ATOM 9 C LIG 1 2.689 -0.243 2.220 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.843 -0.087 -1.271 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.876 2.576 -1.571 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.831 1.963 -1.367 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.632 2.623 -1.276 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.673 3.630 -1.355 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.370 2.077 -1.217 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.377 2.796 -1.323 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.302 0.543 -1.152 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.571 -0.025 -0.518 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.784 0.454 -1.300 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -0.758 -1.008 0.791 0.00 0.00 +0.072 A ATOM 21 N LIG 1 -1.205 -1.854 1.734 0.00 0.00 -0.245 NA ATOM 22 C LIG 1 -2.519 -2.162 1.687 0.00 0.00 +0.090 A ATOM 23 C LIG 1 -3.209 -3.032 2.557 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -4.514 -3.074 2.137 0.00 0.00 +0.088 A ATOM 25 N LIG 1 -4.634 -2.264 1.028 0.00 0.00 -0.343 N ATOM 26 C LIG 1 -3.423 -1.650 0.745 0.00 0.00 +0.072 A ATOM 27 C LIG 1 -2.979 -0.716 -0.219 0.00 0.00 -0.006 A ATOM 28 C LIG 1 -1.594 -0.439 -0.168 0.00 0.00 +0.035 A BRANCH 25 29 ATOM 29 C LIG 1 -5.877 -2.184 0.284 0.00 0.00 +0.149 C BRANCH 29 30 ATOM 30 C LIG 1 -5.913 -3.156 -0.889 0.00 0.00 +0.177 C BRANCH 30 31 ATOM 31 O LIG 1 -7.138 -3.003 -1.597 0.00 0.00 -0.393 OA ATOM 32 H LIG 1 -7.128 -3.643 -2.331 0.00 0.00 +0.209 HD ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 25 29 BRANCH 27 33 ATOM 33 C LIG 1 -3.808 0.001 -1.265 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -4.263 1.353 -0.948 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -5.131 1.496 0.215 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -5.170 3.002 0.461 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -4.054 3.583 -0.399 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -3.234 2.375 -0.817 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 7 20 TORSDOF 7