REMARK Name = BDB033483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -1.125 2.763 0.961 0.00 0.00 +0.096 S ATOM 2 O LIG 1 -0.396 4.011 1.068 0.00 0.00 -0.148 OA ATOM 3 O LIG 1 -1.996 2.334 2.040 0.00 0.00 -0.148 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.107 1.497 0.746 0.00 0.00 +0.236 A ATOM 5 S LIG 1 0.984 1.017 2.131 0.00 0.00 -0.042 S ATOM 6 C LIG 1 1.882 -0.082 1.164 0.00 0.00 +0.095 A ATOM 7 C LIG 1 1.420 -0.027 -0.137 0.00 0.00 +0.133 A ATOM 8 N LIG 1 0.424 0.897 -0.388 0.00 0.00 -0.228 NA BRANCH 6 9 ATOM 9 C LIG 1 2.902 -0.914 1.768 0.00 0.00 +0.255 C ATOM 10 N LIG 1 4.088 -1.091 1.068 0.00 0.00 -0.295 N ATOM 11 C LIG 1 4.590 -0.281 -0.041 0.00 0.00 +0.139 C ATOM 12 C LIG 1 6.108 -0.501 -0.036 0.00 0.00 +0.133 C ATOM 13 C LIG 1 6.253 -1.885 0.586 0.00 0.00 +0.052 C ATOM 14 C LIG 1 5.159 -1.888 1.644 0.00 0.00 +0.111 C ATOM 15 O LIG 1 2.738 -1.457 2.861 0.00 0.00 -0.269 OA BRANCH 12 16 ATOM 16 O LIG 1 6.766 0.449 0.800 0.00 0.00 -0.390 OA ATOM 17 H LIG 1 6.631 1.333 0.417 0.00 0.00 +0.210 HD ENDBRANCH 12 16 ENDBRANCH 6 9 ENDBRANCH 1 4 BRANCH 1 18 ATOM 18 N LIG 1 -2.077 2.893 -0.435 0.00 0.00 -0.212 N ATOM 19 H LIG 1 -2.699 3.697 -0.356 0.00 0.00 +0.174 HD BRANCH 18 27 ATOM 20 C LIG 1 -4.777 -1.573 -2.908 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -4.097 -0.440 -2.186 0.00 0.00 -0.040 A ATOM 22 C LIG 1 -4.403 -0.073 -0.846 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -3.710 0.996 -0.257 0.00 0.00 +0.071 A ATOM 24 N LIG 1 -4.192 1.125 1.030 0.00 0.00 -0.358 N ATOM 25 H LIG 1 -3.809 1.772 1.715 0.00 0.00 +0.165 HD ATOM 26 C LIG 1 -5.164 0.198 1.278 0.00 0.00 +0.102 A ATOM 27 C LIG 1 -2.722 1.723 -0.937 0.00 0.00 +0.072 A ATOM 28 C LIG 1 -2.459 1.372 -2.261 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -5.321 -0.558 0.139 0.00 0.00 +0.077 A ATOM 30 C LIG 1 -3.119 0.308 -2.869 0.00 0.00 +0.006 A BRANCH 29 31 ATOM 31 C LIG 1 -6.252 -1.637 0.013 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -7.009 -2.511 -0.094 0.00 0.00 -0.191 NA ENDBRANCH 29 31 ENDBRANCH 18 27 ENDBRANCH 1 18 TORSDOF 6