REMARK Name = BDB011196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.208 -2.234 0.018 0.00 0.00 +0.146 A ATOM 2 C LIG 1 2.902 -1.862 -0.364 0.00 0.00 +0.114 A ATOM 3 N LIG 1 2.133 -2.737 -1.048 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 0.851 -2.421 -1.311 0.00 0.00 +0.127 A ATOM 5 C LIG 1 0.307 -1.199 -0.991 0.00 0.00 +0.082 A ATOM 6 C LIG 1 1.107 -0.215 -0.436 0.00 0.00 +0.070 A ATOM 7 N LIG 1 0.524 1.090 -0.375 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -0.886 1.236 -0.293 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -1.382 2.365 -0.246 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -1.631 0.054 -0.358 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -1.120 -0.945 -1.176 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -1.714 -1.619 -2.011 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 2.410 -0.582 0.005 0.00 0.00 +0.028 A ATOM 14 C LIG 1 3.213 0.213 0.854 0.00 0.00 +0.012 A ATOM 15 C LIG 1 4.493 -0.175 1.238 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.000 -1.390 0.803 0.00 0.00 +0.048 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 -3.023 0.021 0.069 0.00 0.00 +0.058 A ATOM 18 C LIG 1 -3.861 -1.077 -0.202 0.00 0.00 +0.075 A ATOM 19 C LIG 1 -5.187 -1.122 0.247 0.00 0.00 +0.164 A ATOM 20 O LIG 1 -5.920 -2.228 -0.109 0.00 0.00 -0.485 OA ATOM 21 C LIG 1 -7.322 -2.005 0.081 0.00 0.00 +0.270 C ATOM 22 C LIG 1 -7.582 -1.380 1.442 0.00 0.00 +0.270 C ATOM 23 O LIG 1 -6.977 -0.084 1.530 0.00 0.00 -0.485 OA ATOM 24 C LIG 1 -5.702 -0.092 1.028 0.00 0.00 +0.162 A ATOM 25 C LIG 1 -4.898 0.995 1.333 0.00 0.00 +0.051 A ATOM 26 C LIG 1 -3.574 1.041 0.872 0.00 0.00 +0.030 A ENDBRANCH 10 17 BRANCH 7 27 ATOM 27 C LIG 1 1.243 2.309 -0.785 0.00 0.00 +0.092 C ATOM 28 C LIG 1 1.559 3.299 0.348 0.00 0.00 +0.025 C ATOM 29 C LIG 1 2.929 3.886 0.009 0.00 0.00 +0.002 C ATOM 30 C LIG 1 3.128 3.605 -1.474 0.00 0.00 +0.002 C ATOM 31 C LIG 1 2.501 2.228 -1.662 0.00 0.00 +0.025 C ENDBRANCH 7 27 BRANCH 1 33 ATOM 32 C LIG 1 5.936 -3.898 -0.081 0.00 0.00 +0.277 C ATOM 33 O LIG 1 4.623 -3.475 -0.417 0.00 0.00 -0.493 OA ENDBRANCH 1 33 TORSDOF 3