REMARK Name = BDB024794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.722 -3.799 -2.093 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.454 -2.857 -1.084 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.474 -2.574 -0.044 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.651 -3.776 0.901 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.185 -1.345 0.832 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.591 -0.227 0.008 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.310 -0.738 -0.580 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.150 0.064 -0.642 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.962 1.351 -0.201 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.707 1.654 -0.471 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.074 0.592 -1.086 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.987 -0.433 -1.212 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.910 -1.719 -1.746 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.070 -2.505 -1.691 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.267 -2.042 -1.124 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.971 -4.121 -3.009 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.332 -5.242 -3.026 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.981 -4.325 -1.990 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.299 0.561 -1.560 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.329 0.290 -0.454 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 2.329 -1.121 -0.031 0.00 0.00 -0.306 NA ATOM 22 H LIG 1 2.601 -1.704 -0.831 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 3.322 -1.372 1.032 0.00 0.00 +0.177 C BRANCH 23 24 ATOM 24 C LIG 1 4.749 -1.462 0.460 0.00 0.00 +0.229 C ATOM 25 N LIG 1 5.776 -1.456 1.378 0.00 0.00 -0.300 N ATOM 26 C LIG 1 7.164 -1.534 0.961 0.00 0.00 +0.108 C ATOM 27 C LIG 1 7.955 -1.231 2.226 0.00 0.00 +0.020 C ATOM 28 C LIG 1 7.048 -1.757 3.333 0.00 0.00 +0.020 C ATOM 29 C LIG 1 5.654 -1.413 2.828 0.00 0.00 +0.108 C ATOM 30 O LIG 1 4.957 -1.544 -0.755 0.00 0.00 -0.274 OA ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.051 2.958 -0.141 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 -1.055 4.115 -0.149 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 -0.388 5.419 -0.063 0.00 0.00 -0.315 N ATOM 34 C LIG 1 0.012 5.882 1.192 0.00 0.00 +0.251 A ATOM 35 O LIG 1 -0.134 5.271 2.247 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 0.675 7.216 1.209 0.00 0.00 +0.070 A ATOM 37 C LIG 1 0.892 7.881 0.063 0.00 0.00 +0.007 A ATOM 38 C LIG 1 0.483 7.317 -1.196 0.00 0.00 +0.018 A ATOM 39 C LIG 1 -0.137 6.131 -1.228 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 9