REMARK Name = BDB025002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.740 0.223 0.221 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.714 -0.711 -0.015 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.024 -2.151 0.105 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.881 -2.624 1.557 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.216 -2.996 -0.875 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.735 -2.804 -0.646 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.380 -1.345 -0.597 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.038 -0.962 -0.835 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.037 -1.764 -1.109 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.084 -0.971 -1.245 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -0.700 0.358 -1.090 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.654 0.369 -0.799 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.573 1.375 -0.504 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.900 0.992 -0.252 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.337 -0.342 -0.290 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.669 1.441 0.106 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.570 1.533 -1.160 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.738 2.223 0.208 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.753 3.369 0.153 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.375 4.366 -0.957 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.126 3.713 -2.320 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.152 2.539 -2.244 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.177 2.857 -0.010 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.859 3.014 -1.011 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.649 2.180 1.054 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.049 2.028 1.816 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.990 0.520 0.857 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.908 -0.379 0.608 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.487 -1.469 -1.502 0.00 0.00 +0.181 C ATOM 30 C LIG 1 -2.485 -2.518 -2.612 0.00 0.00 +0.046 C BRANCH 29 31 ATOM 31 O LIG 1 -2.994 -2.112 -0.316 0.00 0.00 -0.366 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.321 -1.219 0.746 0.00 0.00 +0.124 C ATOM 33 C LIG 1 -4.675 -1.591 1.336 0.00 0.00 +0.059 C ATOM 34 C LIG 1 -5.027 -0.657 2.494 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -3.904 0.146 2.902 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -2.759 -0.675 3.148 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -2.264 -1.298 1.849 0.00 0.00 +0.059 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7