REMARK Name = BDB059430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.120 0.011 -1.104 0.00 0.00 +0.402 C ATOM 2 N LIG 1 1.466 -0.021 -1.000 0.00 0.00 -0.259 N ATOM 3 H LIG 1 1.928 0.702 -0.459 0.00 0.00 +0.154 HD ATOM 4 O LIG 1 -0.561 -0.807 -1.701 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 5 ATOM 5 O LIG 1 -0.364 1.077 -0.423 0.00 0.00 -0.449 OA BRANCH 5 6 ATOM 6 C LIG 1 -1.792 1.236 -0.469 0.00 0.00 +0.255 C BRANCH 6 7 ATOM 7 C LIG 1 -2.476 0.291 0.517 0.00 0.00 +0.166 C BRANCH 7 10 ATOM 8 C LIG 1 -4.119 -1.481 -1.339 0.00 0.00 +0.086 C ATOM 9 C LIG 1 -4.686 -0.484 -0.390 0.00 0.00 +0.108 A ATOM 10 N LIG 1 -3.923 0.336 0.428 0.00 0.00 -0.306 N ATOM 11 C LIG 1 -4.809 1.109 1.135 0.00 0.00 +0.216 A ATOM 12 C LIG 1 -6.063 0.717 0.743 0.00 0.00 +0.164 A ATOM 13 N LIG 1 -5.975 -0.263 -0.208 0.00 0.00 -0.239 NA BRANCH 11 14 ATOM 14 N LIG 1 -4.474 2.113 2.083 0.00 0.00 +0.075 N ATOM 15 O LIG 1 -3.320 2.554 2.067 0.00 0.00 -0.125 OA ATOM 16 O LIG 1 -5.377 2.481 2.842 0.00 0.00 -0.125 OA ENDBRANCH 11 14 ENDBRANCH 7 10 ENDBRANCH 6 7 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 17 ATOM 17 C LIG 1 2.289 -1.097 -1.496 0.00 0.00 +0.215 C BRANCH 17 18 ATOM 18 C LIG 1 2.432 -2.373 -0.554 0.00 0.00 +0.225 C ATOM 19 CL LIG 1 0.896 -3.325 -0.489 0.00 0.00 -0.080 Cl ATOM 20 CL LIG 1 2.854 -1.976 1.150 0.00 0.00 -0.080 Cl ATOM 21 CL LIG 1 3.696 -3.492 -1.202 0.00 0.00 -0.080 Cl ENDBRANCH 17 18 BRANCH 17 22 ATOM 22 N LIG 1 3.545 -0.485 -1.948 0.00 0.00 -0.292 N ATOM 23 H LIG 1 4.131 -1.128 -2.476 0.00 0.00 +0.151 HD BRANCH 22 24 ATOM 24 C LIG 1 4.393 0.056 -1.001 0.00 0.00 +0.217 A ATOM 25 N LIG 1 5.684 -0.258 -1.137 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 6.534 0.262 -0.230 0.00 0.00 +0.116 A ATOM 27 C LIG 1 6.138 1.077 0.800 0.00 0.00 +0.039 A ATOM 28 C LIG 1 4.792 1.339 0.852 0.00 0.00 +0.116 A ATOM 29 N LIG 1 3.903 0.841 -0.031 0.00 0.00 -0.223 NA ENDBRANCH 22 24 ENDBRANCH 17 22 ENDBRANCH 2 17 TORSDOF 9