REMARK Name = BDB024853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.631 -4.106 -0.398 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.373 -3.041 0.482 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.152 -2.908 1.738 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.780 -4.011 2.745 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.998 -1.560 2.460 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.933 -0.424 1.467 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.742 -0.665 0.588 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.884 0.384 0.195 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.934 1.718 0.524 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.903 2.280 -0.073 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.209 1.354 -0.822 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.809 0.126 -0.645 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.521 -1.153 -1.123 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.383 -2.186 -0.732 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.489 -1.969 0.104 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.096 -4.299 -1.484 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.939 -6.020 -0.805 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.617 -4.934 0.065 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.924 1.610 -1.694 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.239 1.298 -1.009 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.138 0.601 -1.795 0.00 0.00 -0.305 N ATOM 22 H LIG 1 2.760 0.087 -2.585 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.500 1.656 0.137 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.297 -0.031 -1.183 0.00 0.00 +0.200 C BRANCH 24 25 ATOM 25 C LIG 1 3.970 -1.513 -0.957 0.00 0.00 +0.233 C ATOM 26 N LIG 1 4.739 -2.192 -0.042 0.00 0.00 -0.300 N ATOM 27 C LIG 1 4.497 -3.592 0.263 0.00 0.00 +0.108 C ATOM 28 C LIG 1 5.293 -3.846 1.535 0.00 0.00 +0.020 C ATOM 29 C LIG 1 6.456 -2.869 1.412 0.00 0.00 +0.020 C ATOM 30 C LIG 1 5.805 -1.646 0.782 0.00 0.00 +0.108 C ATOM 31 O LIG 1 3.086 -2.069 -1.616 0.00 0.00 -0.274 OA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 -0.541 3.723 0.030 0.00 0.00 +0.096 C BRANCH 32 33 ATOM 33 C LIG 1 -1.332 4.553 -0.983 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 N LIG 1 -0.832 5.924 -1.077 0.00 0.00 -0.315 N ATOM 35 C LIG 1 0.279 6.166 -1.887 0.00 0.00 +0.251 A ATOM 36 O LIG 1 0.865 5.306 -2.541 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 0.758 7.574 -1.930 0.00 0.00 +0.070 A ATOM 38 C LIG 1 0.151 8.515 -1.196 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -0.971 8.178 -0.357 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -1.423 6.919 -0.318 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 8