REMARK Name = BDB008535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.996 -0.396 -0.763 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.764 -0.072 -0.212 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.175 -0.945 -0.724 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.560 -1.795 -1.530 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.046 -2.837 -2.196 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.268 -2.983 -1.984 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.066 -2.199 -1.219 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.545 -1.140 -0.573 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.877 -1.447 -1.552 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.598 0.068 0.154 0.00 0.00 +0.044 A ATOM 11 N LIG 1 5.762 1.411 0.086 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 4.702 2.157 -0.289 0.00 0.00 +0.112 A ATOM 13 C LIG 1 3.456 1.633 -0.580 0.00 0.00 +0.031 A ATOM 14 C LIG 1 3.277 0.255 -0.474 0.00 0.00 +0.021 A ATOM 15 C LIG 1 4.374 -0.537 -0.122 0.00 0.00 +0.035 A BRANCH 10 17 ATOM 16 C LIG 1 7.249 -1.688 -0.581 0.00 0.00 +0.014 C ATOM 17 C LIG 1 6.821 -0.740 0.540 0.00 0.00 +0.032 C ATOM 18 C LIG 1 6.607 -1.497 1.852 0.00 0.00 +0.014 C ENDBRANCH 10 17 ENDBRANCH 1 14 BRANCH 6 19 ATOM 19 C LIG 1 -1.920 -4.149 -2.682 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -1.377 -4.972 -3.401 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -3.251 -4.239 -2.450 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -3.521 -5.032 -2.957 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.346 -0.305 0.197 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.090 0.668 0.070 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.798 -0.524 0.183 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.487 0.846 0.237 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.215 -1.338 1.411 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.707 -1.774 1.502 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.210 -3.063 2.186 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -3.881 -2.858 1.432 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.532 0.888 0.860 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 -0.139 2.174 0.422 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -0.690 2.998 1.417 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -1.329 4.196 1.088 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.423 4.610 -0.247 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -0.872 3.793 -1.243 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.232 2.595 -0.913 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -2.134 5.894 -0.598 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -1.870 6.900 0.282 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.487 5.748 -0.606 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.800 6.377 -1.827 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10