REMARK Name = BDB051663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.421 0.581 1.943 0.00 0.00 +0.216 C ATOM 2 N LIG 1 -0.668 0.193 1.170 0.00 0.00 -0.293 N ATOM 3 C LIG 1 -0.608 -0.118 -0.268 0.00 0.00 +0.124 C ATOM 4 C LIG 1 -0.609 1.128 -1.175 0.00 0.00 +0.131 C ATOM 5 N LIG 1 -0.463 0.735 -2.567 0.00 0.00 -0.309 N ATOM 6 H LIG 1 -0.069 1.378 -3.244 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -1.157 -0.327 -3.103 0.00 0.00 +0.244 C ATOM 8 C LIG 1 -1.924 -1.174 -2.143 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.874 -2.077 -2.628 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -3.661 -2.802 -1.733 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.526 -2.603 -0.357 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -2.583 -1.694 0.137 0.00 0.00 -0.040 A ATOM 13 C LIG 1 -2.478 -1.407 1.613 0.00 0.00 +0.054 C ATOM 14 O LIG 1 -1.159 -0.544 -4.306 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -1.736 -1.016 -0.757 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.967 0.022 1.822 0.00 0.00 +0.113 C ATOM 17 O LIG 1 0.299 0.892 3.128 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 1.795 0.550 1.283 0.00 0.00 +0.096 C BRANCH 18 19 ATOM 19 C LIG 1 2.879 1.162 2.177 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 4.268 1.112 1.542 0.00 0.00 +0.121 C BRANCH 20 22 ATOM 21 O LIG 1 3.581 2.792 -0.102 0.00 0.00 -0.251 OA ATOM 22 C LIG 1 4.439 2.097 0.414 0.00 0.00 +0.305 C BRANCH 22 23 ATOM 23 O LIG 1 5.711 2.136 -0.026 0.00 0.00 -0.481 OA ATOM 24 H LIG 1 5.700 2.802 -0.746 0.00 0.00 +0.295 HD ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 5