REMARK Name = BDB031899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.538 1.469 1.980 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.875 0.506 2.763 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.345 -0.006 2.306 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.947 0.395 1.122 0.00 0.00 +0.041 A ATOM 5 C LIG 1 2.159 -0.367 1.033 0.00 0.00 +0.154 A ATOM 6 N LIG 1 2.283 -1.171 2.092 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.299 1.373 0.343 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.195 -0.936 2.833 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.089 -1.452 3.698 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.925 1.895 0.789 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.083 -0.573 -1.372 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.725 -0.092 -0.104 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.280 1.092 0.360 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.135 1.873 1.635 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -2.854 2.066 2.422 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.084 3.037 1.461 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.658 2.910 0.209 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.338 3.563 -0.146 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.286 3.913 2.285 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -3.967 1.190 2.962 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.201 1.768 -0.453 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.578 1.327 -1.703 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.004 0.138 -2.165 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.789 -2.290 -2.995 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.469 -1.745 -1.722 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.997 -0.218 -0.018 0.00 0.00 -0.278 N ATOM 27 H LIG 1 2.768 0.440 -0.752 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 4.188 -0.899 -0.210 0.00 0.00 +0.187 A ATOM 29 C LIG 1 4.935 -0.533 -1.478 0.00 0.00 +0.167 A ATOM 30 C LIG 1 6.092 -1.161 -1.714 0.00 0.00 +0.120 A ATOM 31 C LIG 1 6.617 -2.169 -0.778 0.00 0.00 +0.271 A ATOM 32 O LIG 1 7.685 -2.715 -1.049 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 5.850 -2.416 0.341 0.00 0.00 -0.231 N ATOM 34 C LIG 1 6.274 -3.389 1.329 0.00 0.00 +0.176 C ATOM 35 N LIG 1 4.661 -1.791 0.613 0.00 0.00 -0.149 NA BRANCH 29 36 ATOM 36 O LIG 1 4.335 0.428 -2.273 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 5.014 0.798 -3.468 0.00 0.00 +0.277 C ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5