REMARK Name = BDB042153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.120 1.562 2.164 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.083 0.971 1.873 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.390 -0.190 1.015 0.00 0.00 +0.092 C ATOM 4 C LIG 1 -2.380 0.251 -0.091 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.595 0.605 0.683 0.00 0.00 -0.285 NA ATOM 6 C LIG 1 -3.288 0.207 2.080 0.00 0.00 +0.077 C ATOM 7 C LIG 1 -2.339 -0.981 1.911 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.291 1.257 2.649 0.00 0.00 +0.127 C ATOM 9 O LIG 1 0.279 2.343 3.098 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.618 -0.103 0.344 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.826 0.279 -0.732 0.00 0.00 +0.251 C ATOM 12 O LIG 1 5.136 0.326 -1.905 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.518 0.645 -0.184 0.00 0.00 +0.077 A ATOM 14 C LIG 1 3.590 0.554 1.206 0.00 0.00 -0.014 A ATOM 15 C LIG 1 2.484 0.849 1.984 0.00 0.00 +0.019 A ATOM 16 C LIG 1 1.296 1.224 1.333 0.00 0.00 +0.040 A ATOM 17 C LIG 1 1.243 1.342 -0.069 0.00 0.00 +0.052 A ATOM 18 C LIG 1 2.368 1.040 -0.832 0.00 0.00 +0.137 A ATOM 19 F LIG 1 2.306 1.138 -2.165 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.965 0.153 1.620 0.00 0.00 +0.144 C BRANCH 10 27 ATOM 21 O LIG 1 10.876 -0.075 -1.309 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 9.716 -0.151 -0.915 0.00 0.00 +0.219 C ATOM 23 N LIG 1 9.045 0.963 -0.475 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.550 1.836 -0.532 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.810 1.022 0.129 0.00 0.00 +0.240 C ATOM 26 O LIG 1 7.406 2.076 0.617 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 7.061 -0.314 0.262 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.483 -1.279 -0.844 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.991 -1.471 -0.797 0.00 0.00 +0.098 C ENDBRANCH 10 27 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -4.912 0.201 0.151 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -5.343 0.992 -1.103 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.453 0.582 -1.868 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.883 1.315 -2.978 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.230 2.491 -3.333 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.158 2.942 -2.569 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.729 2.207 -1.459 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.124 -1.317 0.063 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -4.704 -2.073 -1.046 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.904 -3.454 -1.091 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.529 -4.105 -0.030 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.959 -3.375 1.075 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -5.761 -1.993 1.121 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 5 30 TORSDOF 5