REMARK Name = BDB007646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.111 -2.200 1.966 0.00 0.00 -0.033 A ATOM 2 C LIG 1 2.180 -1.228 2.367 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.799 -1.478 2.328 0.00 0.00 +0.037 A ATOM 4 C LIG 1 0.350 -2.732 1.892 0.00 0.00 +0.013 A ATOM 5 C LIG 1 1.268 -3.713 1.507 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.636 -3.448 1.542 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.117 -0.367 2.737 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -1.473 -0.582 2.634 0.00 0.00 -0.309 N ATOM 9 H LIG 1 -1.829 -1.528 2.623 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 0.349 0.693 3.149 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -2.424 0.403 3.120 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 -3.839 0.135 2.602 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 -4.224 -1.212 2.938 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 -4.971 -1.400 2.326 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -3.960 0.312 1.070 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -5.305 -0.107 0.601 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -5.321 -0.344 -0.859 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.380 0.901 -1.714 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -5.873 2.113 -1.197 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -5.968 3.237 -2.029 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.602 3.152 -3.376 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.134 1.947 -3.895 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.254 2.220 0.258 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -5.024 0.827 -3.068 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -6.376 0.849 0.942 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 4.594 -1.899 1.983 0.00 0.00 +0.119 C BRANCH 26 30 ATOM 27 N LIG 1 5.342 -0.161 -1.943 0.00 0.00 -0.292 NA ATOM 28 C LIG 1 5.447 0.668 -0.725 0.00 0.00 +0.100 C ATOM 29 C LIG 1 4.696 0.048 0.482 0.00 0.00 +0.100 C ATOM 30 N LIG 1 5.176 -1.311 0.771 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 5.029 -2.149 -0.429 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.778 -1.540 -1.639 0.00 0.00 +0.100 C BRANCH 27 33 ATOM 33 C LIG 1 6.129 0.379 -3.064 0.00 0.00 +0.180 C BRANCH 33 37 ATOM 34 N LIG 1 6.402 2.813 -3.182 0.00 0.00 -0.328 N ATOM 35 H LIG 1 6.020 3.729 -3.387 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 7.126 2.732 -2.482 0.00 0.00 +0.145 HD ATOM 37 C LIG 1 5.608 1.746 -3.519 0.00 0.00 +0.225 C ATOM 38 O LIG 1 4.567 1.926 -4.142 0.00 0.00 -0.275 OA ENDBRANCH 33 37 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 10