REMARK Name = BDB037881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.254 -0.696 -0.036 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.625 -1.841 0.286 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.320 -1.938 -0.052 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.445 -0.950 -0.690 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.214 0.257 -0.980 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.590 0.355 -0.667 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.402 -0.483 1.080 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.476 0.448 1.560 0.00 0.00 +0.166 A ATOM 9 F LIG 1 5.873 1.426 2.388 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.129 0.392 1.201 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.666 -0.614 0.340 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.604 -1.541 -0.138 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.226 -2.504 -0.993 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.954 -1.484 0.221 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.650 -1.272 1.069 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.692 -0.317 1.505 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.776 -1.257 -0.974 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.774 -0.685 -0.043 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -4.070 -1.559 -0.078 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.540 -1.657 -1.563 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.443 -2.111 -2.534 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.176 -1.271 -2.384 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.765 -2.938 0.399 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.210 -2.886 1.257 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.091 -3.343 -0.260 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -5.219 -0.925 0.764 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -4.970 -0.909 2.275 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -3.886 -0.150 2.573 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.031 -0.300 2.876 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -5.481 0.417 0.295 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -6.069 0.832 0.957 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.473 1.417 -1.664 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 -0.045 2.722 -1.174 0.00 0.00 -0.323 N ATOM 34 C LIG 1 -0.258 3.249 0.071 0.00 0.00 +0.106 A ATOM 35 C LIG 1 0.320 4.507 0.017 0.00 0.00 +0.181 A ATOM 36 N LIG 1 0.338 5.362 1.055 0.00 0.00 -0.215 NA ATOM 37 C LIG 1 -0.264 4.865 2.143 0.00 0.00 +0.223 A ATOM 38 N LIG 1 -0.852 3.659 2.290 0.00 0.00 -0.242 NA ATOM 39 N LIG 1 0.860 4.750 -1.218 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -0.856 2.818 1.236 0.00 0.00 +0.142 A ATOM 41 C LIG 1 0.615 3.664 -1.917 0.00 0.00 +0.202 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9