REMARK Name = BDB060760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.486 -1.657 0.391 0.00 0.00 +0.060 A ATOM 2 C LIG 1 -1.489 -0.828 -0.768 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.255 -0.287 -1.227 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.268 0.531 -2.384 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.444 0.829 -3.069 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.646 0.314 -2.619 0.00 0.00 +0.001 A ATOM 7 C LIG 1 0.932 -0.585 -0.504 0.00 0.00 +0.060 A ATOM 8 C LIG 1 0.907 -1.419 0.615 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -2.666 -0.502 -1.489 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -0.294 -1.949 1.059 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -2.675 -2.225 0.959 0.00 0.00 -0.192 N BRANCH 11 12 ATOM 12 S LIG 1 -3.368 -1.501 2.323 0.00 0.00 +0.075 S ATOM 13 O LIG 1 -4.495 -2.310 2.744 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -2.329 -1.136 3.262 0.00 0.00 -0.150 OA BRANCH 12 15 ATOM 15 C LIG 1 -4.039 0.015 1.671 0.00 0.00 +0.112 A ATOM 16 C LIG 1 -5.364 0.042 1.221 0.00 0.00 +0.078 A ATOM 17 C LIG 1 -5.832 1.240 0.727 0.00 0.00 +0.168 A ATOM 18 O LIG 1 -7.079 1.458 0.229 0.00 0.00 -0.453 OA ATOM 19 C LIG 1 -6.997 2.859 -0.108 0.00 0.00 +0.466 C ATOM 20 O LIG 1 -5.704 3.438 0.161 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 -5.047 2.371 0.687 0.00 0.00 +0.166 A ATOM 22 C LIG 1 -3.746 2.373 1.145 0.00 0.00 +0.051 A ATOM 23 C LIG 1 -3.236 1.176 1.655 0.00 0.00 +0.032 A ENDBRANCH 12 15 ENDBRANCH 11 12 BRANCH 11 24 ATOM 24 C LIG 1 -3.471 -3.202 0.196 0.00 0.00 +0.251 C BRANCH 24 26 ATOM 25 O LIG 1 -4.618 -5.280 0.724 0.00 0.00 -0.249 OA ATOM 26 C LIG 1 -3.705 -4.497 0.943 0.00 0.00 +0.324 C BRANCH 26 27 ATOM 27 O LIG 1 -2.762 -4.797 1.859 0.00 0.00 -0.479 OA ATOM 28 H LIG 1 -3.087 -5.620 2.280 0.00 0.00 +0.295 HD ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 11 24 ENDBRANCH 1 11 BRANCH 7 29 ATOM 29 N LIG 1 2.231 -0.082 -0.859 0.00 0.00 -0.192 N BRANCH 29 30 ATOM 30 S LIG 1 2.543 1.550 -0.516 0.00 0.00 +0.075 S ATOM 31 O LIG 1 1.668 2.009 0.542 0.00 0.00 -0.150 OA ATOM 32 O LIG 1 2.632 2.262 -1.775 0.00 0.00 -0.150 OA BRANCH 30 33 ATOM 33 C LIG 1 4.178 1.490 0.182 0.00 0.00 +0.112 A ATOM 34 C LIG 1 5.271 1.954 -0.558 0.00 0.00 +0.078 A ATOM 35 C LIG 1 6.508 1.883 0.044 0.00 0.00 +0.168 A ATOM 36 O LIG 1 7.684 2.275 -0.514 0.00 0.00 -0.453 OA ATOM 37 C LIG 1 8.606 1.983 0.556 0.00 0.00 +0.466 C ATOM 38 O LIG 1 7.972 1.404 1.716 0.00 0.00 -0.453 OA ATOM 39 C LIG 1 6.672 1.388 1.319 0.00 0.00 +0.166 A ATOM 40 C LIG 1 5.607 0.941 2.072 0.00 0.00 +0.051 A ATOM 41 C LIG 1 4.336 0.998 1.495 0.00 0.00 +0.032 A ENDBRANCH 30 33 ENDBRANCH 29 30 BRANCH 29 42 ATOM 42 C LIG 1 2.920 -0.712 -2.007 0.00 0.00 +0.251 C BRANCH 42 43 ATOM 43 C LIG 1 4.318 -1.169 -1.680 0.00 0.00 +0.324 C ATOM 44 O LIG 1 5.283 -1.105 -2.425 0.00 0.00 -0.249 OA BRANCH 43 45 ATOM 45 O LIG 1 4.442 -1.736 -0.462 0.00 0.00 -0.479 OA ATOM 46 H LIG 1 5.393 -1.968 -0.396 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 29 42 ENDBRANCH 7 29 TORSDOF 12