REMARK Name = BDB024856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.554 -3.551 0.539 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.435 -2.201 0.158 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.637 -1.370 0.403 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.910 -1.978 -0.227 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.522 0.048 -0.162 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.274 0.704 0.367 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.082 -0.123 -0.008 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.838 0.516 -0.220 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.536 1.855 -0.177 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.245 1.956 -0.423 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.298 0.709 -0.652 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.703 -0.227 -0.502 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.733 -1.616 -0.575 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.972 -2.242 -0.356 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.162 -1.540 -0.084 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.384 -3.952 1.353 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.924 -5.786 0.185 0.00 0.00 +0.282 C ATOM 18 O LIG 1 3.735 -4.407 -0.134 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.670 0.407 -1.022 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.571 0.313 0.195 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -3.333 -0.802 0.405 0.00 0.00 -0.311 N ATOM 22 H LIG 1 -3.931 -0.698 1.219 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -2.654 1.227 1.018 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.590 -1.932 -0.488 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -4.568 -1.526 -1.599 0.00 0.00 +0.050 C ATOM 26 C LIG 1 -5.315 -2.744 -2.117 0.00 0.00 +0.161 C ATOM 27 O LIG 1 -6.086 -3.392 -1.108 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -5.611 -3.240 0.229 0.00 0.00 +0.161 C ATOM 29 C LIG 1 -4.095 -3.148 0.299 0.00 0.00 +0.050 C ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.517 3.243 -0.425 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -0.461 3.912 0.952 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -1.403 5.031 1.054 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -1.039 6.266 0.516 0.00 0.00 +0.251 A ATOM 34 O LIG 1 0.032 6.501 -0.039 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -2.053 7.352 0.636 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -3.236 7.109 1.216 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -3.543 5.799 1.729 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -2.642 4.814 1.635 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7