REMARK Name = BDB034106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.378 0.976 0.517 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -3.656 2.278 0.051 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -2.761 3.336 0.250 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.575 3.120 0.947 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.280 1.838 1.412 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.175 0.779 1.216 0.00 0.00 +0.025 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.026 1.614 2.158 0.00 0.00 +0.247 C ATOM 8 N LIG 1 0.955 0.813 1.575 0.00 0.00 -0.297 N ATOM 9 C LIG 1 2.167 0.516 2.331 0.00 0.00 +0.111 C ATOM 10 C LIG 1 3.408 0.987 1.581 0.00 0.00 +0.063 C ATOM 11 C LIG 1 3.414 0.563 0.101 0.00 0.00 +0.176 C ATOM 12 C LIG 1 2.207 -0.314 -0.252 0.00 0.00 +0.063 C ATOM 13 C LIG 1 0.906 0.341 0.191 0.00 0.00 +0.111 C ATOM 14 O LIG 1 0.084 2.156 3.254 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 O LIG 1 4.580 -0.216 -0.198 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 5.758 0.423 -0.469 0.00 0.00 +0.125 A ATOM 17 C LIG 1 6.800 -0.428 -0.876 0.00 0.00 +0.069 A ATOM 18 C LIG 1 8.096 0.033 -1.187 0.00 0.00 +0.036 A ATOM 19 C LIG 1 8.293 1.414 -1.082 0.00 0.00 +0.061 A ATOM 20 C LIG 1 7.262 2.263 -0.677 0.00 0.00 +0.129 A ATOM 21 F LIG 1 7.500 3.579 -0.584 0.00 0.00 -0.205 F ATOM 22 C LIG 1 5.998 1.783 -0.365 0.00 0.00 +0.084 A BRANCH 18 23 ATOM 23 N LIG 1 9.091 -0.853 -1.591 0.00 0.00 -0.327 N ATOM 24 C LIG 1 10.396 -0.411 -2.114 0.00 0.00 +0.120 C ATOM 25 C LIG 1 11.511 -0.700 -1.084 0.00 0.00 +0.100 C ATOM 26 N LIG 1 11.607 -2.106 -0.625 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 11.582 -2.102 0.395 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 10.469 -2.905 -1.119 0.00 0.00 +0.100 C ATOM 29 C LIG 1 9.093 -2.208 -0.990 0.00 0.00 +0.120 C ENDBRANCH 18 23 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 7 BRANCH 1 33 ATOM 30 C LIG 1 -6.075 -2.353 -0.110 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -5.697 -1.950 1.180 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.820 -0.875 1.380 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.288 -0.160 0.299 0.00 0.00 -0.014 A ATOM 34 C LIG 1 -4.653 -0.562 -0.990 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -5.531 -1.634 -1.190 0.00 0.00 +0.005 A BRANCH 30 37 ATOM 36 C LIG 1 -8.298 -2.987 -1.104 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -7.049 -3.516 -0.366 0.00 0.00 -0.013 C ATOM 38 C LIG 1 -6.362 -4.591 -1.236 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -7.538 -4.217 0.922 0.00 0.00 +0.015 C ENDBRANCH 30 37 ENDBRANCH 1 33 BRANCH 2 40 ATOM 40 O LIG 1 -4.796 2.558 -0.661 0.00 0.00 -0.487 OA BRANCH 40 41 ATOM 41 C LIG 1 -5.913 2.769 0.210 0.00 0.00 +0.188 C ATOM 42 C LIG 1 -7.152 2.022 -0.302 0.00 0.00 +0.125 C ATOM 43 N LIG 1 -8.237 3.014 -0.463 0.00 0.00 -0.312 NA ATOM 44 H LIG 1 -8.255 3.293 -1.447 0.00 0.00 +0.122 HD ATOM 45 C LIG 1 -7.829 4.170 0.341 0.00 0.00 +0.084 C ATOM 46 C LIG 1 -6.329 4.233 0.152 0.00 0.00 +0.061 C ENDBRANCH 40 41 ENDBRANCH 2 40 TORSDOF 8