REMARK Name = BDB053376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.071 1.438 -0.329 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.028 2.317 -0.218 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -0.915 3.517 -0.478 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.389 1.731 0.192 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -3.084 1.058 -1.024 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -3.934 2.072 -1.816 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -4.859 2.882 -0.920 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -4.069 3.642 0.033 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -4.671 4.241 0.597 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -3.265 2.786 0.902 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -3.893 -0.205 -0.710 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -4.392 -0.545 0.492 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -5.140 -1.818 0.700 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -5.574 -2.075 1.819 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -5.279 -2.631 -0.421 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -5.999 -3.888 -0.305 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -4.757 -2.277 -1.650 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -4.089 -1.129 -1.818 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 -0.051 -0.009 -0.306 0.00 0.00 +0.077 C ATOM 20 C LIG 1 0.934 -0.921 0.390 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -0.445 -0.775 0.934 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 1.277 2.005 -0.957 0.00 0.00 +0.144 C BRANCH 22 25 ATOM 23 C LIG 1 4.751 0.567 -0.305 0.00 0.00 -0.044 A ATOM 24 C LIG 1 3.522 0.881 -0.899 0.00 0.00 +0.010 A ATOM 25 C LIG 1 2.584 1.711 -0.252 0.00 0.00 -0.010 A ATOM 26 C LIG 1 2.906 2.246 1.012 0.00 0.00 +0.064 A ATOM 27 CL LIG 1 1.782 3.280 1.834 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 4.139 1.935 1.607 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 4.603 2.533 3.164 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 5.051 1.102 0.951 0.00 0.00 +0.025 A BRANCH 23 31 ATOM 31 C LIG 1 5.725 -0.361 -0.995 0.00 0.00 +0.054 C BRANCH 31 32 ATOM 32 C LIG 1 5.374 -1.840 -0.791 0.00 0.00 +0.109 C BRANCH 32 35 ATOM 33 C LIG 1 6.602 -2.883 2.642 0.00 0.00 +0.109 C ATOM 34 C LIG 1 6.684 -2.527 1.182 0.00 0.00 +0.210 C ATOM 35 N LIG 1 5.468 -2.264 0.594 0.00 0.00 -0.315 N ATOM 36 H LIG 1 4.651 -2.158 1.181 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 7.750 -2.495 0.576 0.00 0.00 -0.276 OA ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 8