REMARK Name = BDB024799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.861 -2.637 1.377 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.429 -1.582 0.554 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.420 -0.651 -0.042 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.255 -1.348 -1.132 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.824 0.620 -0.669 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.679 1.143 0.166 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.634 0.068 0.218 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.259 0.362 0.115 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.641 1.577 -0.068 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.348 1.330 -0.107 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.108 -0.017 0.066 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.319 -0.657 0.200 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.677 -1.992 0.382 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.045 -2.274 0.491 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.029 -1.275 0.421 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.145 -3.443 1.962 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.715 -3.701 2.363 0.00 0.00 +0.282 C ATOM 18 O LIG 1 7.222 -2.664 1.514 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.194 -0.652 0.139 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 -1.712 -1.089 -1.238 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 -3.126 -1.487 -1.227 0.00 0.00 -0.308 NA ATOM 22 H LIG 1 -3.341 -2.010 -0.377 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.020 -0.328 -1.325 0.00 0.00 +0.158 C BRANCH 23 24 ATOM 24 C LIG 1 -5.422 -0.725 -1.061 0.00 0.00 +0.151 A ATOM 25 O LIG 1 -5.981 -0.246 0.083 0.00 0.00 -0.358 OA ATOM 26 N LIG 1 -7.283 -0.700 0.187 0.00 0.00 -0.083 NA ATOM 27 C LIG 1 -7.492 -1.454 -0.900 0.00 0.00 +0.081 A ATOM 28 C LIG 1 -8.802 -2.109 -1.113 0.00 0.00 +0.069 C ATOM 29 C LIG 1 -6.344 -1.499 -1.722 0.00 0.00 +0.072 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.718 2.356 -0.318 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -1.186 2.967 1.008 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -2.580 3.419 0.935 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -2.863 4.583 0.217 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -2.023 5.271 -0.355 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -4.298 4.971 0.144 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -5.234 4.210 0.726 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -4.864 3.015 1.439 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -3.576 2.660 1.528 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9