REMARK Name = BDB059482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.588 -1.098 -1.987 0.00 0.00 +0.251 C ATOM 2 N LIG 1 -0.921 0.230 -2.187 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -0.169 0.904 -2.138 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.389 -1.989 -2.268 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 5.197 -1.191 0.175 0.00 0.00 -0.291 NA ATOM 6 C LIG 1 3.948 -0.431 0.390 0.00 0.00 +0.121 C ATOM 7 C LIG 1 2.820 -1.071 -0.378 0.00 0.00 -0.022 A ATOM 8 C LIG 1 2.862 -2.385 -0.796 0.00 0.00 -0.004 A ATOM 9 S LIG 1 1.453 -2.879 -1.596 0.00 0.00 -0.088 S ATOM 10 C LIG 1 0.739 -1.324 -1.433 0.00 0.00 +0.074 A ATOM 11 C LIG 1 4.043 -3.277 -0.595 0.00 0.00 +0.058 C ATOM 12 C LIG 1 1.580 -0.460 -0.748 0.00 0.00 +0.026 A ATOM 13 C LIG 1 5.007 -2.635 0.428 0.00 0.00 +0.090 C BRANCH 5 15 ATOM 14 C LIG 1 6.256 -0.682 2.429 0.00 0.00 +0.029 C ATOM 15 C LIG 1 6.362 -0.628 0.895 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 C LIG 1 6.745 0.744 0.334 0.00 0.00 -0.031 A ATOM 17 C LIG 1 7.213 0.822 -0.992 0.00 0.00 +0.005 A ATOM 18 C LIG 1 7.571 2.046 -1.560 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.466 3.216 -0.813 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.998 3.162 0.498 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.638 1.937 1.067 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 10 BRANCH 2 22 ATOM 22 C LIG 1 -2.132 0.642 -2.887 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.468 0.337 -2.168 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -3.843 -1.030 -2.366 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.037 -1.580 -2.247 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.416 0.694 -0.662 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.680 0.804 0.088 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.422 -0.467 0.152 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.698 -0.354 0.965 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.328 0.892 1.145 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.528 0.968 1.863 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.114 -0.188 2.379 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.502 -1.426 2.188 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.675 2.148 0.621 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.303 -1.510 1.481 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.564 1.865 -0.403 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8