REMARK Name = BDB022410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.729 -0.399 -1.253 0.00 0.00 -0.018 A ATOM 2 C LIG 1 0.840 0.676 -1.072 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.372 0.756 -1.781 0.00 0.00 -0.035 A ATOM 4 C LIG 1 -0.689 -0.258 -2.694 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.179 -1.331 -2.886 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.376 -1.400 -2.171 0.00 0.00 +0.008 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.426 -0.594 0.955 0.00 0.00 +0.069 A ATOM 8 C LIG 1 5.407 -0.681 -0.442 0.00 0.00 +0.145 A ATOM 9 F LIG 1 6.565 -0.825 -1.108 0.00 0.00 -0.204 F ATOM 10 C LIG 1 4.219 -0.620 -1.166 0.00 0.00 +0.048 A ATOM 11 C LIG 1 2.993 -0.469 -0.504 0.00 0.00 -0.015 A ATOM 12 C LIG 1 3.012 -0.387 0.899 0.00 0.00 +0.010 A ATOM 13 C LIG 1 4.213 -0.449 1.623 0.00 0.00 +0.027 A BRANCH 7 15 ATOM 14 C LIG 1 6.952 -0.557 2.931 0.00 0.00 +0.241 C ATOM 15 N LIG 1 6.684 -0.668 1.589 0.00 0.00 -0.280 N ATOM 16 H LIG 1 7.470 -0.768 0.957 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 6.156 -0.313 3.829 0.00 0.00 -0.271 OA BRANCH 14 19 ATOM 18 C LIG 1 9.281 -1.465 2.639 0.00 0.00 +0.013 C ATOM 19 C LIG 1 8.394 -0.694 3.282 0.00 0.00 +0.060 C ENDBRANCH 14 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 3 20 ATOM 20 C LIG 1 -1.308 1.935 -1.557 0.00 0.00 +0.102 C ATOM 21 C LIG 1 -1.298 2.865 -2.772 0.00 0.00 +0.022 C BRANCH 20 22 ATOM 22 C LIG 1 -2.735 1.493 -1.195 0.00 0.00 +0.225 C ATOM 23 N LIG 1 -2.777 0.730 -0.048 0.00 0.00 -0.268 N ATOM 24 H LIG 1 -1.926 0.449 0.418 0.00 0.00 +0.156 HD ATOM 25 O LIG 1 -3.711 1.827 -1.863 0.00 0.00 -0.275 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.909 0.216 0.533 0.00 0.00 +0.147 A ATOM 27 N LIG 1 -3.776 -0.534 1.632 0.00 0.00 -0.158 NA ATOM 28 N LIG 1 -5.037 -0.876 1.946 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -5.191 -1.460 2.761 0.00 0.00 +0.189 HD ATOM 30 C LIG 1 -5.967 -0.367 1.091 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -5.263 0.352 0.156 0.00 0.00 +0.068 A BRANCH 30 32 ATOM 32 C LIG 1 -7.498 -0.584 1.191 0.00 0.00 +0.037 C ATOM 33 C LIG 1 -8.314 -0.715 -0.066 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -8.435 0.520 0.780 0.00 0.00 +0.010 C ENDBRANCH 30 32 ENDBRANCH 23 26 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 7