REMARK Name = BDB052378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.571 1.543 0.797 0.00 0.00 -0.027 A ATOM 2 C LIG 1 1.267 1.081 0.540 0.00 0.00 +0.050 A ATOM 3 C LIG 1 0.304 1.075 1.551 0.00 0.00 +0.121 A ATOM 4 C LIG 1 0.640 1.555 2.818 0.00 0.00 +0.045 A ATOM 5 C LIG 1 1.927 2.019 3.085 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.891 2.008 2.080 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.626 1.498 -0.280 0.00 0.00 +0.147 C BRANCH 7 9 ATOM 8 C LIG 1 5.638 0.142 0.338 0.00 0.00 +0.403 C ATOM 9 N LIG 1 4.388 0.248 -0.245 0.00 0.00 -0.252 N ATOM 10 O LIG 1 6.279 -0.901 0.361 0.00 0.00 -0.226 OA BRANCH 8 12 ATOM 11 C LIG 1 7.337 1.218 1.538 0.00 0.00 +0.282 C ATOM 12 O LIG 1 6.053 1.299 0.914 0.00 0.00 -0.454 OA ENDBRANCH 8 12 BRANCH 9 13 ATOM 13 C LIG 1 3.852 -0.916 -0.963 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 3.041 -1.901 -0.124 0.00 0.00 +0.322 C ATOM 15 O LIG 1 2.434 -2.846 -0.612 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 O LIG 1 3.041 -1.663 1.204 0.00 0.00 -0.480 OA ATOM 17 H LIG 1 3.556 -0.863 1.428 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 18 ATOM 18 O LIG 1 -0.986 0.638 1.431 0.00 0.00 -0.486 OA BRANCH 18 19 ATOM 19 C LIG 1 -1.327 -0.068 0.234 0.00 0.00 +0.285 C BRANCH 19 20 ATOM 20 C LIG 1 -2.726 -0.602 0.304 0.00 0.00 +0.086 A ATOM 21 N LIG 1 -3.571 -0.428 -0.785 0.00 0.00 -0.241 NA ATOM 22 C LIG 1 -4.758 -0.965 -0.556 0.00 0.00 +0.109 A ATOM 23 S LIG 1 -4.904 -1.711 0.994 0.00 0.00 -0.075 S ATOM 24 C LIG 1 -3.290 -1.288 1.360 0.00 0.00 +0.074 A BRANCH 22 25 ATOM 25 C LIG 1 -5.875 -0.933 -1.525 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -5.705 -0.226 -2.729 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -6.723 -0.159 -3.685 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -7.935 -0.802 -3.454 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -8.127 -1.510 -2.271 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -7.106 -1.576 -1.315 0.00 0.00 +0.010 A ENDBRANCH 22 25 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 3 18 TORSDOF 10