REMARK Name = BDB031826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.545 2.393 0.793 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.293 2.112 -0.564 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.162 1.356 -0.893 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.747 0.895 0.048 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.733 0.175 -0.702 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.430 0.176 -2.003 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.525 1.208 1.402 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.313 0.905 -2.092 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.088 1.050 -3.010 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.614 1.952 1.749 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.489 -0.949 -0.473 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.928 0.073 0.302 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.519 1.331 0.288 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.181 2.634 0.958 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -2.781 3.166 1.199 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.274 3.574 0.504 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.105 2.855 -0.336 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.920 3.258 -0.773 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.380 4.743 0.833 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -3.638 2.690 2.357 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.678 1.533 -0.476 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.271 0.544 -1.230 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.659 -0.711 -1.222 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.684 -2.442 -0.074 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.998 -2.223 -0.579 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.783 -0.424 -0.095 0.00 0.00 -0.280 N ATOM 27 H LIG 1 2.911 -0.300 0.901 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.947 -1.014 -0.644 0.00 0.00 +0.166 A ATOM 29 C LIG 1 4.822 -1.673 0.247 0.00 0.00 +0.161 A ATOM 30 C LIG 1 5.963 -2.294 -0.267 0.00 0.00 +0.063 A ATOM 31 C LIG 1 6.209 -2.266 -1.643 0.00 0.00 +0.076 A ATOM 32 C LIG 1 5.301 -1.594 -2.442 0.00 0.00 +0.125 A ATOM 33 N LIG 1 4.194 -0.981 -1.972 0.00 0.00 -0.236 NA BRANCH 31 34 ATOM 34 C LIG 1 7.423 -2.894 -2.251 0.00 0.00 +0.419 C ATOM 35 F LIG 1 8.456 -2.016 -2.370 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.904 -3.937 -1.517 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.205 -3.390 -3.500 0.00 0.00 -0.166 F ENDBRANCH 31 34 BRANCH 29 38 ATOM 38 O LIG 1 4.479 -1.627 1.578 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 5.285 -2.375 2.480 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6