REMARK Name = BDB053616 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.102 -1.625 1.961 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -1.182 -1.169 1.644 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -1.369 0.101 1.096 0.00 0.00 +0.125 A ATOM 4 C LIG 1 -0.259 0.914 0.875 0.00 0.00 +0.091 A ATOM 5 C LIG 1 1.032 0.469 1.187 0.00 0.00 +0.125 A ATOM 6 C LIG 1 1.210 -0.802 1.732 0.00 0.00 +0.053 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 0.267 -4.098 1.794 0.00 0.00 +0.037 C ATOM 8 C LIG 1 0.296 -2.964 2.522 0.00 0.00 +0.018 C BRANCH 7 9 ATOM 9 C LIG 1 0.520 -5.376 2.502 0.00 0.00 +0.333 C ATOM 10 O LIG 1 1.328 -6.206 2.126 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -0.275 -5.542 3.580 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -0.956 -4.850 3.671 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 0.111 -4.206 0.298 0.00 0.00 +0.042 C BRANCH 13 14 ATOM 14 C LIG 1 -1.269 -4.751 -0.086 0.00 0.00 +0.005 C BRANCH 14 16 ATOM 15 C LIG 1 -0.604 -5.677 -2.370 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -1.522 -4.743 -1.596 0.00 0.00 -0.003 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 17 ATOM 17 O LIG 1 -2.673 0.418 0.838 0.00 0.00 -0.492 OA BRANCH 17 18 ATOM 18 C LIG 1 -2.957 1.646 0.161 0.00 0.00 +0.233 C BRANCH 18 19 ATOM 19 C LIG 1 -3.119 2.792 1.159 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 -3.411 4.100 0.470 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.362 4.940 0.072 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -2.631 6.140 -0.588 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.947 6.509 -0.858 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.997 5.678 -0.469 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.731 4.478 0.190 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 5 26 ATOM 26 O LIG 1 2.016 1.375 0.906 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 3.386 1.004 1.082 0.00 0.00 +0.233 C BRANCH 27 28 ATOM 28 C LIG 1 3.925 0.178 -0.092 0.00 0.00 +0.076 C BRANCH 28 29 ATOM 29 C LIG 1 4.080 0.994 -1.355 0.00 0.00 -0.044 A ATOM 30 C LIG 1 2.993 1.176 -2.220 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.132 1.939 -3.380 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.357 2.530 -3.685 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.443 2.360 -2.829 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.306 1.597 -1.667 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 14