REMARK Name = BDB031830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.485 -0.572 2.245 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.788 -1.495 1.443 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.422 -1.100 0.863 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.991 0.150 1.063 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.191 0.143 0.285 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -2.362 -1.036 -0.320 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.323 1.063 1.900 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.285 -1.751 0.027 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.198 -2.691 -0.342 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.900 0.685 2.477 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.669 -0.762 -1.830 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.450 -0.470 -0.478 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.066 -1.254 0.489 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.036 -1.247 1.993 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.823 -0.938 2.850 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.965 -2.374 2.384 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.433 -2.940 1.212 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.077 -3.715 1.200 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.231 -2.703 3.527 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.989 0.031 2.780 0.00 0.00 +0.031 C ATOM 21 C LIG 1 4.917 -2.295 0.086 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.175 -2.594 -1.234 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.536 -1.811 -2.197 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.030 0.785 -2.581 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.105 -0.097 -2.886 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.030 1.204 0.251 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -2.790 2.026 0.793 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.967 1.558 -0.752 0.00 0.00 +0.141 A ATOM 29 C LIG 1 -4.973 2.473 -0.432 0.00 0.00 +0.066 A ATOM 30 C LIG 1 -5.844 2.785 -1.457 0.00 0.00 +0.131 A ATOM 31 N LIG 1 -5.785 2.249 -2.691 0.00 0.00 -0.239 NA ATOM 32 C LIG 1 -4.803 1.356 -2.896 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -4.687 0.746 -4.258 0.00 0.00 +0.088 C ATOM 34 N LIG 1 -3.885 1.006 -1.980 0.00 0.00 -0.216 NA BRANCH 29 35 ATOM 35 S LIG 1 -5.156 3.241 1.167 0.00 0.00 -0.124 S ATOM 36 C LIG 1 -5.900 1.845 2.057 0.00 0.00 +0.090 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5