REMARK Name = BDB012574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.328 -0.863 -0.757 0.00 0.00 +0.064 A ATOM 2 C LIG 1 1.970 -0.576 -0.581 0.00 0.00 +0.081 A ATOM 3 C LIG 1 0.683 -1.205 -0.508 0.00 0.00 +0.255 C ATOM 4 N LIG 1 -0.247 -0.145 -0.317 0.00 0.00 -0.254 N ATOM 5 C LIG 1 0.423 1.194 -0.232 0.00 0.00 +0.159 C ATOM 6 O LIG 1 0.514 -2.409 -0.620 0.00 0.00 -0.269 OA ATOM 7 C LIG 1 1.826 0.771 -0.433 0.00 0.00 +0.058 A ATOM 8 N LIG 1 3.041 1.362 -0.504 0.00 0.00 -0.349 N ATOM 9 C LIG 1 3.336 2.769 -0.386 0.00 0.00 +0.148 C ATOM 10 C LIG 1 3.975 0.362 -0.703 0.00 0.00 +0.109 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.670 -0.298 -0.292 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -2.259 -1.572 -0.233 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -3.659 -1.659 -0.206 0.00 0.00 +0.091 A ATOM 14 C LIG 1 -4.490 -0.549 -0.236 0.00 0.00 +0.116 A ATOM 15 N LIG 1 -5.798 -0.955 -0.202 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -5.819 -2.280 -0.154 0.00 0.00 -0.065 NA ATOM 17 C LIG 1 -3.931 0.737 -0.295 0.00 0.00 -0.019 A ATOM 18 C LIG 1 -4.756 1.990 -0.331 0.00 0.00 +0.046 C ATOM 19 N LIG 1 -4.542 -2.703 -0.148 0.00 0.00 -0.247 N ATOM 20 C LIG 1 -4.264 -4.114 -0.104 0.00 0.00 +0.175 C ATOM 21 C LIG 1 -2.517 0.827 -0.324 0.00 0.00 +0.029 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 0.226 1.914 1.092 0.00 0.00 -0.021 A ATOM 23 C LIG 1 0.294 1.236 2.323 0.00 0.00 +0.007 A ATOM 24 C LIG 1 0.125 1.924 3.527 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.107 3.297 3.514 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -0.313 4.145 4.996 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -0.170 3.989 2.307 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.001 3.302 1.102 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 31 ATOM 29 C LIG 1 5.467 -3.876 -1.307 0.00 0.00 +0.109 C ATOM 30 C LIG 1 5.207 -2.401 -1.123 0.00 0.00 +0.214 C ATOM 31 N LIG 1 3.867 -2.121 -0.942 0.00 0.00 -0.284 N ATOM 32 H LIG 1 3.197 -2.883 -0.950 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 6.128 -1.592 -1.167 0.00 0.00 -0.276 OA ENDBRANCH 1 31 TORSDOF 3