REMARK Name = BDB056573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.284 0.667 -0.236 0.00 0.00 +0.125 A ATOM 2 N LIG 1 1.448 1.800 0.474 0.00 0.00 -0.239 NA ATOM 3 C LIG 1 0.374 2.476 0.947 0.00 0.00 +0.123 A ATOM 4 C LIG 1 -0.923 2.009 0.717 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.210 2.490 1.050 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.140 1.656 0.463 0.00 0.00 +0.064 A ATOM 7 N LIG 1 -2.469 0.539 -0.037 0.00 0.00 -0.245 N ATOM 8 C LIG 1 -3.001 -0.708 -0.434 0.00 0.00 +0.421 C ATOM 9 O LIG 1 -2.376 -1.464 -1.162 0.00 0.00 -0.223 OA ATOM 10 C LIG 1 -1.097 0.833 -0.011 0.00 0.00 +0.065 A ATOM 11 C LIG 1 0.020 0.132 -0.493 0.00 0.00 +0.070 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.653 2.036 0.365 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -5.622 1.458 -0.419 0.00 0.00 +0.118 A ATOM 14 N LIG 1 -6.772 2.155 -0.179 0.00 0.00 -0.274 N ATOM 15 C LIG 1 -8.070 1.916 -0.762 0.00 0.00 +0.172 C ATOM 16 N LIG 1 -6.612 3.172 0.685 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -5.316 3.106 1.005 0.00 0.00 +0.144 A ENDBRANCH 6 12 BRANCH 1 18 ATOM 18 N LIG 1 2.400 -0.053 -0.727 0.00 0.00 -0.298 N ATOM 19 H LIG 1 2.239 -0.314 -1.697 0.00 0.00 +0.154 HD BRANCH 18 24 ATOM 20 C LIG 1 6.542 0.470 -0.016 0.00 0.00 +0.038 A ATOM 21 C LIG 1 6.105 -0.059 -1.231 0.00 0.00 +0.035 A ATOM 22 C LIG 1 4.735 -0.216 -1.454 0.00 0.00 +0.063 A ATOM 23 CL LIG 1 4.232 -0.905 -2.962 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 3.778 0.180 -0.494 0.00 0.00 +0.051 A ATOM 25 C LIG 1 4.249 0.709 0.717 0.00 0.00 +0.025 A ATOM 26 C LIG 1 5.619 0.872 0.951 0.00 0.00 +0.015 A BRANCH 20 29 ATOM 27 C LIG 1 10.282 -0.152 0.194 0.00 0.00 +0.132 C ATOM 28 N LIG 1 8.856 -0.406 0.083 0.00 0.00 -0.304 N ATOM 29 C LIG 1 7.986 0.670 0.242 0.00 0.00 +0.246 C ATOM 30 O LIG 1 8.350 1.798 0.568 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 8.454 -1.807 0.108 0.00 0.00 +0.132 C ENDBRANCH 20 29 ENDBRANCH 18 24 ENDBRANCH 1 18 BRANCH 8 32 ATOM 32 O LIG 1 -4.174 -0.948 0.196 0.00 0.00 -0.442 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.813 -2.246 0.094 0.00 0.00 +0.107 C ATOM 34 C LIG 1 -3.928 -3.342 0.700 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -6.091 -2.126 0.938 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -5.208 -2.569 -1.351 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 6