REMARK Name = BDB011378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.962 0.910 -0.264 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.072 0.003 0.335 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.187 0.504 0.159 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.593 0.136 0.495 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.296 1.379 0.045 0.00 0.00 -0.251 N ATOM 6 C LIG 1 -1.416 2.295 -0.593 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.630 3.375 -1.117 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.109 1.712 -0.470 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.224 1.981 -0.761 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.655 1.679 0.237 0.00 0.00 +0.078 A ATOM 11 C LIG 1 -4.671 1.045 1.025 0.00 0.00 +0.081 A ATOM 12 C LIG 1 -4.614 -0.117 1.943 0.00 0.00 +0.069 C ATOM 13 N LIG 1 -5.857 1.663 0.906 0.00 0.00 -0.175 NA ATOM 14 N LIG 1 -5.614 2.681 0.073 0.00 0.00 -0.272 N ATOM 15 C LIG 1 -6.685 3.578 -0.287 0.00 0.00 +0.172 C ATOM 16 C LIG 1 -4.322 2.739 -0.343 0.00 0.00 +0.131 A ENDBRANCH 5 10 BRANCH 4 17 ATOM 17 C LIG 1 -2.075 -1.103 -0.245 0.00 0.00 -0.021 A ATOM 18 C LIG 1 -2.426 -2.264 0.467 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -2.864 -3.411 -0.202 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -2.951 -3.413 -1.591 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -3.484 -4.828 -2.411 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -2.605 -2.279 -2.318 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.170 -1.131 -1.649 0.00 0.00 +0.007 A ENDBRANCH 4 17 BRANCH 1 27 ATOM 24 C LIG 1 6.114 0.511 -0.320 0.00 0.00 +0.321 A ATOM 25 N LIG 1 5.432 -0.215 -1.212 0.00 0.00 -0.159 NA ATOM 26 C LIG 1 4.092 -0.070 -1.193 0.00 0.00 +0.230 A ATOM 27 C LIG 1 3.416 0.752 -0.305 0.00 0.00 +0.078 A ATOM 28 C LIG 1 4.232 1.454 0.557 0.00 0.00 +0.131 A ATOM 29 N LIG 1 5.577 1.351 0.580 0.00 0.00 -0.202 NA BRANCH 24 31 ATOM 30 C LIG 1 8.180 1.167 0.549 0.00 0.00 +0.280 C ATOM 31 O LIG 1 7.480 0.335 -0.366 0.00 0.00 -0.466 OA ENDBRANCH 24 31 BRANCH 26 32 ATOM 32 O LIG 1 3.333 -0.785 -2.104 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 4.112 -1.542 -3.025 0.00 0.00 +0.279 C ENDBRANCH 26 32 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 1.478 -1.198 1.068 0.00 0.00 +0.081 C ATOM 35 C LIG 1 1.302 -2.475 0.251 0.00 0.00 +0.030 C ATOM 36 C LIG 1 0.834 -1.310 2.450 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 6