REMARK Name = BDB036132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.402 1.925 -1.604 0.00 0.00 +0.280 A ATOM 2 C LIG 1 3.263 1.337 -2.159 0.00 0.00 +0.187 A ATOM 3 N LIG 1 3.345 0.712 -3.359 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 4.554 0.701 -3.939 0.00 0.00 +0.247 A ATOM 5 N LIG 1 5.674 1.256 -3.437 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 5.595 1.892 -2.248 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.996 1.372 -1.543 0.00 0.00 -0.310 N ATOM 8 C LIG 1 0.941 0.427 -1.793 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.246 1.003 -0.529 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -0.731 2.146 -0.860 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -1.818 2.242 0.207 0.00 0.00 +0.085 C ATOM 12 N LIG 1 -2.626 1.015 0.226 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -1.830 -0.223 0.176 0.00 0.00 +0.085 C ATOM 14 C LIG 1 -0.339 -0.018 0.448 0.00 0.00 +0.025 C ATOM 15 C LIG 1 1.684 1.450 -0.145 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 -3.617 1.036 1.312 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 -4.812 0.094 1.037 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -5.558 0.486 -0.253 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -7.033 0.069 -0.275 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -7.336 -1.184 0.573 0.00 0.00 -0.022 C ATOM 21 C LIG 1 -8.837 -1.552 0.511 0.00 0.00 +0.018 C ATOM 22 C LIG 1 -9.040 -2.252 -0.837 0.00 0.00 +0.053 C ATOM 23 C LIG 1 -10.209 -3.220 -0.833 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -7.707 -2.945 -1.008 0.00 0.00 +0.137 C ATOM 25 O LIG 1 -7.480 -3.809 -1.847 0.00 0.00 -0.297 OA ATOM 26 C LIG 1 -6.673 -2.449 -0.024 0.00 0.00 +0.081 C ATOM 27 C LIG 1 -6.914 -0.936 2.040 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -5.776 0.076 2.223 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 29 ATOM 29 O LIG 1 4.314 2.590 -0.392 0.00 0.00 -0.434 OA BRANCH 29 31 ATOM 30 C LIG 1 6.148 1.697 0.949 0.00 0.00 +0.082 A ATOM 31 C LIG 1 5.486 2.755 0.305 0.00 0.00 +0.143 A ATOM 32 C LIG 1 5.969 4.061 0.436 0.00 0.00 +0.050 A ATOM 33 C LIG 1 7.120 4.301 1.187 0.00 0.00 +0.042 A ATOM 34 C LIG 1 7.764 3.242 1.825 0.00 0.00 +0.124 A ATOM 35 F LIG 1 8.856 3.485 2.562 0.00 0.00 -0.205 F ATOM 36 C LIG 1 7.286 1.942 1.723 0.00 0.00 +0.055 A BRANCH 30 38 ATOM 37 N LIG 1 6.270 -0.645 0.150 0.00 0.00 -0.295 N ATOM 38 C LIG 1 5.609 0.326 0.908 0.00 0.00 +0.250 C ATOM 39 O LIG 1 4.594 0.123 1.569 0.00 0.00 -0.270 OA BRANCH 37 40 ATOM 40 C LIG 1 5.749 -2.026 0.119 0.00 0.00 +0.070 C ATOM 41 C LIG 1 4.347 -2.115 -0.488 0.00 0.00 +0.028 C ATOM 42 C LIG 1 5.813 -2.704 1.489 0.00 0.00 +0.028 C ENDBRANCH 37 40 BRANCH 37 44 ATOM 43 C LIG 1 8.728 -0.951 -0.087 0.00 0.00 +0.024 C ATOM 44 C LIG 1 7.452 -0.372 -0.684 0.00 0.00 +0.105 C ENDBRANCH 37 44 ENDBRANCH 30 38 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 8