REMARK Name = BDB001437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.503 0.737 0.042 0.00 0.00 -0.275 N ATOM 2 C LIG 1 1.336 1.303 0.727 0.00 0.00 +0.194 C ATOM 3 C LIG 1 0.366 0.152 1.032 0.00 0.00 +0.245 C ATOM 4 O LIG 1 0.126 -0.134 2.212 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -0.282 -0.494 -0.025 0.00 0.00 -0.268 N ATOM 6 C LIG 1 -0.105 -0.154 -1.406 0.00 0.00 +0.049 A ATOM 7 C LIG 1 1.119 0.259 -1.963 0.00 0.00 +0.059 A ATOM 8 C LIG 1 1.208 0.609 -3.327 0.00 0.00 +0.029 A ATOM 9 C LIG 1 0.087 0.557 -4.145 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.126 0.132 -3.623 0.00 0.00 +0.016 A ATOM 11 I LIG 1 0.228 1.094 -6.143 0.00 0.00 -0.044 I ATOM 12 C LIG 1 -1.214 -0.228 -2.273 0.00 0.00 +0.025 A ATOM 13 C LIG 1 2.415 0.227 -1.245 0.00 0.00 +0.250 C ATOM 14 O LIG 1 3.374 -0.236 -1.859 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 15 ATOM 15 C LIG 1 0.727 2.553 0.088 0.00 0.00 -0.018 A ATOM 16 C LIG 1 1.511 3.421 -0.695 0.00 0.00 +0.007 A ATOM 17 C LIG 1 0.960 4.572 -1.264 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.376 4.886 -1.036 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -1.057 6.300 -1.738 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -1.161 4.065 -0.232 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -0.611 2.913 0.336 0.00 0.00 +0.007 A ENDBRANCH 2 15 BRANCH 1 23 ATOM 22 C LIG 1 5.002 1.058 0.212 0.00 0.00 +0.033 C ATOM 23 C LIG 1 3.718 0.508 0.853 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 C LIG 1 3.814 -0.935 1.333 0.00 0.00 -0.027 A ATOM 25 C LIG 1 3.237 -1.297 2.564 0.00 0.00 +0.007 A ATOM 26 C LIG 1 3.284 -2.617 3.020 0.00 0.00 +0.020 A ATOM 27 C LIG 1 3.908 -3.593 2.250 0.00 0.00 +0.041 A ATOM 28 CL LIG 1 3.964 -5.219 2.808 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 4.481 -3.260 1.027 0.00 0.00 +0.020 A ATOM 30 C LIG 1 4.431 -1.939 0.571 0.00 0.00 +0.007 A ENDBRANCH 23 24 ENDBRANCH 1 23 BRANCH 5 31 ATOM 31 C LIG 1 -1.269 -1.526 0.340 0.00 0.00 +0.129 C BRANCH 31 32 ATOM 32 C LIG 1 -2.594 -0.941 0.882 0.00 0.00 +0.104 C BRANCH 32 33 ATOM 33 N LIG 1 -3.623 -1.971 1.113 0.00 0.00 -0.296 NA ATOM 34 C LIG 1 -4.681 -1.488 2.031 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -5.649 -0.482 1.388 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -6.263 -1.029 0.215 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -5.274 -1.434 -0.738 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -4.276 -2.438 -0.130 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 6