REMARK Name = BDB034049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.628 1.442 -1.117 0.00 0.00 +0.096 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.238 3.064 -1.593 0.00 0.00 +0.213 C ATOM 3 N LIG 1 0.476 1.972 -1.951 0.00 0.00 -0.311 N ATOM 4 H LIG 1 0.446 1.753 -2.939 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 1.204 3.582 -0.484 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 3.022 4.702 -2.291 0.00 0.00 +0.013 C ATOM 7 C LIG 1 2.160 3.524 -2.706 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -1.232 0.193 -1.792 0.00 0.00 +0.086 C BRANCH 8 9 ATOM 9 C LIG 1 -2.510 -0.253 -1.149 0.00 0.00 +0.081 A ATOM 10 S LIG 1 -2.882 -1.923 -1.030 0.00 0.00 -0.072 S ATOM 11 C LIG 1 -4.364 -1.538 -0.242 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -4.475 -0.152 -0.138 0.00 0.00 +0.078 A ATOM 13 C LIG 1 -5.619 0.390 0.477 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -6.616 -0.462 0.969 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.499 -1.853 0.862 0.00 0.00 -0.044 A ATOM 16 C LIG 1 -5.359 -2.403 0.248 0.00 0.00 +0.021 A ATOM 17 N LIG 1 -3.416 0.569 -0.667 0.00 0.00 -0.244 NA BRANCH 15 18 ATOM 18 C LIG 1 -7.577 -2.783 1.396 0.00 0.00 +0.013 C ATOM 19 C LIG 1 -7.734 -2.649 2.913 0.00 0.00 +0.012 C ATOM 20 C LIG 1 -8.915 -2.562 0.687 0.00 0.00 +0.012 C ENDBRANCH 15 18 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.235 1.180 0.365 0.00 0.00 +0.126 C BRANCH 21 22 ATOM 22 N LIG 1 1.143 0.754 0.544 0.00 0.00 -0.312 N ATOM 23 H LIG 1 1.821 1.506 0.567 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 1.558 -0.545 0.390 0.00 0.00 +0.233 C ATOM 25 O LIG 1 0.771 -1.467 0.173 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 C LIG 1 3.118 -0.774 0.457 0.00 0.00 +0.094 C ATOM 27 C LIG 1 3.704 -0.081 -0.805 0.00 0.00 +0.031 C ATOM 28 C LIG 1 5.100 -0.493 -1.279 0.00 0.00 +0.002 C ATOM 29 C LIG 1 6.253 0.379 -0.782 0.00 0.00 +0.000 C ATOM 30 C LIG 1 6.378 0.572 0.727 0.00 0.00 +0.000 C ATOM 31 C LIG 1 6.188 -0.709 1.534 0.00 0.00 +0.000 C ATOM 32 C LIG 1 4.931 -0.727 2.401 0.00 0.00 +0.002 C ATOM 33 C LIG 1 3.623 -0.199 1.800 0.00 0.00 +0.031 C BRANCH 26 34 ATOM 34 N LIG 1 3.332 -2.240 0.408 0.00 0.00 -0.317 NA ATOM 35 H LIG 1 2.844 -2.654 1.208 0.00 0.00 +0.119 HD ATOM 36 H LIG 1 2.805 -2.599 -0.394 0.00 0.00 +0.119 HD ENDBRANCH 26 34 ENDBRANCH 24 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9