REMARK Name = BDB033658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.639 -0.383 1.033 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.631 -1.467 1.932 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.454 -1.654 2.956 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.669 -2.408 1.870 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.706 -2.280 0.943 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.736 -1.205 0.049 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -1.698 -0.265 0.110 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.434 0.691 1.018 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 3.148 -0.544 -0.151 0.00 0.00 +0.189 C ATOM 10 O LIG 1 4.104 0.461 -0.531 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.134 1.494 0.362 0.00 0.00 +0.147 A ATOM 12 C LIG 1 3.129 2.454 0.454 0.00 0.00 +0.147 A ATOM 13 C LIG 1 3.229 3.490 1.391 0.00 0.00 +0.032 A ATOM 14 C LIG 1 4.346 3.565 2.225 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.364 2.619 2.114 0.00 0.00 +0.004 A ATOM 16 S LIG 1 1.734 2.395 -0.630 0.00 0.00 +0.065 S ATOM 17 O LIG 1 0.779 3.384 -0.169 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 2.220 2.424 -1.992 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 1.054 0.870 -0.319 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 5.262 1.588 1.178 0.00 0.00 +0.047 A ATOM 21 C LIG 1 1.802 -0.305 -0.855 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 4.047 -2.095 -2.004 0.00 0.00 +0.007 C ATOM 23 C LIG 1 3.749 -1.913 -0.521 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -3.877 -1.084 -0.959 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 -4.715 0.162 -0.703 0.00 0.00 -0.001 A ATOM 26 S LIG 1 -6.117 0.050 0.286 0.00 0.00 -0.082 S ATOM 27 C LIG 1 -6.462 1.714 0.123 0.00 0.00 +0.089 A ATOM 28 C LIG 1 -5.534 2.351 -0.672 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -4.528 1.459 -1.149 0.00 0.00 +0.013 A BRANCH 27 30 ATOM 30 C LIG 1 -7.582 2.346 0.745 0.00 0.00 +0.106 C ATOM 31 N LIG 1 -8.489 2.873 1.242 0.00 0.00 -0.190 NA ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 32 ATOM 32 C LIG 1 -3.378 -1.137 -2.413 0.00 0.00 +0.133 C BRANCH 32 33 ATOM 33 C LIG 1 -2.840 -2.499 -2.752 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -3.214 -3.571 -2.308 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.881 -2.448 -3.697 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -1.640 -3.386 -3.848 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 24 32 ENDBRANCH 6 24 TORSDOF 9