REMARK Name = BDB059431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.559 -1.926 0.637 0.00 0.00 +0.213 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 0.546 -0.622 1.155 0.00 0.00 +0.402 C ATOM 3 N LIG 1 1.893 -0.729 1.083 0.00 0.00 -0.259 N ATOM 4 H LIG 1 2.446 0.014 1.492 0.00 0.00 +0.154 HD ATOM 5 O LIG 1 -0.243 -1.455 0.741 0.00 0.00 -0.226 OA BRANCH 2 6 ATOM 6 O LIG 1 0.215 0.554 1.733 0.00 0.00 -0.449 OA BRANCH 6 7 ATOM 7 C LIG 1 -1.195 0.787 1.893 0.00 0.00 +0.255 C BRANCH 7 8 ATOM 8 C LIG 1 -1.817 1.271 0.585 0.00 0.00 +0.166 C BRANCH 8 11 ATOM 9 C LIG 1 -3.787 -0.972 -0.034 0.00 0.00 +0.086 C ATOM 10 C LIG 1 -4.167 0.413 0.355 0.00 0.00 +0.108 A ATOM 11 N LIG 1 -3.259 1.415 0.665 0.00 0.00 -0.306 N ATOM 12 C LIG 1 -4.000 2.525 0.983 0.00 0.00 +0.216 A ATOM 13 C LIG 1 -5.314 2.170 0.827 0.00 0.00 +0.164 A ATOM 14 N LIG 1 -5.406 0.858 0.447 0.00 0.00 -0.239 NA BRANCH 12 15 ATOM 15 N LIG 1 -3.486 3.785 1.390 0.00 0.00 +0.075 N ATOM 16 O LIG 1 -4.258 4.747 1.315 0.00 0.00 -0.125 OA ATOM 17 O LIG 1 -2.322 3.822 1.802 0.00 0.00 -0.125 OA ENDBRANCH 12 15 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 2.900 -2.947 1.810 0.00 0.00 +0.225 C ATOM 19 CL LIG 1 3.872 -4.316 1.153 0.00 0.00 -0.080 Cl ATOM 20 CL LIG 1 3.877 -2.149 3.095 0.00 0.00 -0.080 Cl ATOM 21 CL LIG 1 1.426 -3.628 2.567 0.00 0.00 -0.080 Cl ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 N LIG 1 3.782 -1.433 -0.066 0.00 0.00 -0.318 N ATOM 23 H LIG 1 4.383 -2.250 -0.238 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.517 -0.844 -1.333 0.00 0.00 +0.103 A ATOM 25 C LIG 1 3.325 -1.561 -2.504 0.00 0.00 +0.157 A ATOM 26 CL LIG 1 3.509 -3.276 -2.537 0.00 0.00 -0.060 Cl ATOM 27 N LIG 1 2.995 -1.050 -3.703 0.00 0.00 -0.201 NA ATOM 28 C LIG 1 2.851 0.269 -3.755 0.00 0.00 +0.215 A ATOM 29 N LIG 1 2.977 1.083 -2.714 0.00 0.00 -0.201 NA ATOM 30 C LIG 1 3.312 0.510 -1.542 0.00 0.00 +0.157 A ATOM 31 CL LIG 1 3.516 1.672 -0.281 0.00 0.00 -0.060 Cl BRANCH 28 32 ATOM 32 N LIG 1 2.521 0.827 -4.966 0.00 0.00 -0.327 N ATOM 33 H LIG 1 2.082 1.731 -4.859 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 2.087 0.158 -5.586 0.00 0.00 +0.145 HD ENDBRANCH 28 32 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 10