REMARK Name = BDB019167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.187 -0.417 -1.068 0.00 0.00 +0.252 C ATOM 2 C LIG 1 1.143 -1.871 -0.598 0.00 0.00 +0.195 C ATOM 3 C LIG 1 -0.266 -2.259 -1.015 0.00 0.00 +0.179 C ATOM 4 C LIG 1 -1.071 -1.000 -0.683 0.00 0.00 +0.185 C ATOM 5 O LIG 1 -0.164 0.107 -0.947 0.00 0.00 -0.345 OA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -1.582 -0.946 0.785 0.00 0.00 +0.180 C ATOM 7 C LIG 1 -2.642 0.134 0.997 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -3.982 -0.205 1.294 0.00 0.00 -0.021 A ATOM 9 C LIG 1 -4.919 0.822 1.508 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -4.545 2.162 1.402 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.229 2.496 1.096 0.00 0.00 +0.002 A ATOM 12 CL LIG 1 -6.562 0.482 1.923 0.00 0.00 -0.083 Cl ATOM 13 C LIG 1 -4.354 -1.659 1.448 0.00 0.00 +0.065 C ATOM 14 C LIG 1 -3.340 -2.562 0.765 0.00 0.00 +0.165 C ATOM 15 C LIG 1 -2.285 1.490 0.900 0.00 0.00 +0.006 A ATOM 16 O LIG 1 -2.028 -2.240 1.223 0.00 0.00 -0.369 OA ENDBRANCH 4 6 BRANCH 1 21 ATOM 17 C LIG 1 5.236 2.059 -0.070 0.00 0.00 +0.129 A ATOM 18 C LIG 1 3.949 1.578 0.208 0.00 0.00 +0.058 A ATOM 19 C LIG 1 3.027 1.669 1.286 0.00 0.00 +0.033 A ATOM 20 C LIG 1 1.901 0.956 0.936 0.00 0.00 +0.091 A ATOM 21 N LIG 1 2.105 0.425 -0.317 0.00 0.00 -0.303 N ATOM 22 C LIG 1 3.347 0.801 -0.772 0.00 0.00 +0.148 A ATOM 23 N LIG 1 3.880 0.469 -1.961 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 5.115 0.977 -2.109 0.00 0.00 +0.225 A ATOM 25 N LIG 1 5.808 1.749 -1.249 0.00 0.00 -0.220 NA BRANCH 17 26 ATOM 26 N LIG 1 5.962 2.861 0.799 0.00 0.00 -0.343 N ATOM 27 H LIG 1 6.723 3.318 0.309 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 5.404 3.442 1.407 0.00 0.00 +0.144 HD ENDBRANCH 17 26 ENDBRANCH 1 21 BRANCH 2 29 ATOM 29 O LIG 1 2.111 -2.713 -1.217 0.00 0.00 -0.385 OA ATOM 30 H LIG 1 1.719 -3.009 -2.064 0.00 0.00 +0.210 HD ENDBRANCH 2 29 BRANCH 3 31 ATOM 31 O LIG 1 -0.257 -2.515 -2.438 0.00 0.00 -0.386 OA ATOM 32 H LIG 1 -0.493 -1.696 -2.911 0.00 0.00 +0.210 HD ENDBRANCH 3 31 TORSDOF 5