REMARK Name = BDB024092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.996 -0.897 0.843 0.00 0.00 +0.172 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.045 -0.691 2.351 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.677 0.444 2.883 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.726 0.650 4.263 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.151 -0.278 5.128 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.532 -1.415 4.616 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.482 -1.625 3.237 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.543 -1.219 0.371 0.00 0.00 +0.239 C ATOM 9 N LIG 1 0.271 -0.094 0.360 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -0.133 0.754 0.742 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.206 -2.360 0.054 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.616 -0.007 -0.047 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.247 1.234 0.094 0.00 0.00 +0.024 A ATOM 14 C LIG 1 3.582 1.409 -0.292 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.314 0.344 -0.830 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.678 -0.894 -0.974 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.342 -1.068 -0.585 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 5.697 0.509 -1.242 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.592 1.410 -0.700 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.773 1.224 -1.359 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.011 1.930 -1.140 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.718 0.264 -2.298 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.457 -0.172 -2.223 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.935 -1.974 0.445 0.00 0.00 -0.299 NA ATOM 25 H LIG 1 -2.464 -2.848 0.698 0.00 0.00 +0.123 HD BRANCH 24 27 ATOM 26 C LIG 1 -3.426 -3.453 -1.427 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.219 -1.991 -1.004 0.00 0.00 +0.056 C BRANCH 27 28 ATOM 28 C LIG 1 -4.496 -1.189 -1.358 0.00 0.00 +0.053 C BRANCH 28 29 ATOM 29 C LIG 1 -4.345 0.314 -1.303 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -3.549 0.986 -2.242 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.399 2.373 -2.178 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -4.048 3.094 -1.179 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -3.854 4.801 -1.093 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -4.850 2.442 -0.245 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -4.998 1.054 -0.308 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 8