REMARK Name = BDB024087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.604 -1.401 -0.975 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.816 -2.350 -2.147 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.923 -3.740 -1.972 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.124 -4.583 -3.064 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.224 -4.051 -4.346 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.116 -2.676 -4.539 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.913 -1.832 -3.448 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.227 -1.612 -0.272 0.00 0.00 +0.239 C ATOM 9 N LIG 1 0.374 -0.396 0.079 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -0.207 0.433 0.002 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.222 -2.738 -0.027 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.645 -0.203 0.657 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.545 -1.230 0.920 0.00 0.00 +0.024 A ATOM 14 C LIG 1 3.796 -0.955 1.491 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.175 0.355 1.792 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.277 1.385 1.512 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.020 1.108 0.960 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 5.477 0.620 2.376 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.253 1.735 2.118 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.406 1.573 2.833 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.543 2.461 2.849 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.443 0.429 3.539 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.274 -0.155 3.253 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.645 -1.489 0.072 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.622 -2.434 0.453 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.010 -1.164 -0.359 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.722 0.459 -1.253 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.221 0.235 -1.010 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -3.644 1.432 -0.254 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.597 1.483 1.148 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.081 2.604 1.803 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -2.615 3.692 1.065 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -1.988 5.071 1.874 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -2.655 3.663 -0.325 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -3.167 2.540 -0.982 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8