REMARK Name = BDB051756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.019 -1.145 0.666 0.00 0.00 +0.047 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.251 -0.750 -0.790 0.00 0.00 +0.263 C BRANCH 2 3 ATOM 3 O LIG 1 -3.633 -0.450 -0.998 0.00 0.00 -0.394 OA BRANCH 3 4 ATOM 4 N LIG 1 -3.876 0.875 -0.609 0.00 0.00 -0.089 NA ATOM 5 C LIG 1 -5.116 1.223 -0.789 0.00 0.00 +0.088 C BRANCH 5 6 ATOM 6 C LIG 1 -6.206 0.333 -1.262 0.00 0.00 -0.001 A ATOM 7 C LIG 1 -6.513 -0.824 -0.540 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -7.559 -1.645 -0.960 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -8.297 -1.307 -2.096 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -7.989 -0.151 -2.815 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -6.943 0.673 -2.400 0.00 0.00 +0.010 A ENDBRANCH 5 6 BRANCH 5 12 ATOM 12 C LIG 1 -5.497 2.652 -0.435 0.00 0.00 +0.070 C BRANCH 12 13 ATOM 13 C LIG 1 -5.771 2.768 1.060 0.00 0.00 +0.127 C BRANCH 13 14 ATOM 14 C LIG 1 -7.195 2.410 1.380 0.00 0.00 +0.305 C ATOM 15 O LIG 1 -8.180 2.658 0.706 0.00 0.00 -0.251 OA BRANCH 14 16 ATOM 16 O LIG 1 -7.317 1.783 2.564 0.00 0.00 -0.481 OA ATOM 17 H LIG 1 -8.280 1.619 2.647 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.557 -1.445 0.985 0.00 0.00 +0.047 C BRANCH 18 19 ATOM 19 C LIG 1 -0.035 -2.710 0.310 0.00 0.00 +0.263 C BRANCH 19 20 ATOM 20 O LIG 1 1.307 -2.962 0.731 0.00 0.00 -0.394 OA BRANCH 20 22 ATOM 21 C LIG 1 3.417 -2.335 0.328 0.00 0.00 +0.084 C ATOM 22 N LIG 1 2.183 -2.212 -0.068 0.00 0.00 -0.089 NA ATOM 23 C LIG 1 3.826 -3.203 1.502 0.00 0.00 +0.069 C BRANCH 21 26 ATOM 24 C LIG 1 6.611 -0.403 -0.435 0.00 0.00 -0.047 A ATOM 25 C LIG 1 5.624 -1.116 0.264 0.00 0.00 +0.013 A ATOM 26 C LIG 1 4.480 -1.581 -0.398 0.00 0.00 -0.001 A ATOM 27 C LIG 1 4.312 -1.314 -1.761 0.00 0.00 +0.010 A ATOM 28 C LIG 1 5.290 -0.609 -2.463 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.434 -0.159 -1.804 0.00 0.00 +0.003 A BRANCH 24 30 ATOM 30 C LIG 1 7.840 0.106 0.279 0.00 0.00 +0.035 C BRANCH 30 31 ATOM 31 C LIG 1 7.858 1.627 0.472 0.00 0.00 +0.004 C BRANCH 31 33 ATOM 32 C LIG 1 6.887 3.620 1.667 0.00 0.00 +0.004 C ATOM 33 C LIG 1 6.785 2.119 1.446 0.00 0.00 -0.003 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 21 26 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 16