REMARK Name = BDB023925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.240 -0.238 1.138 0.00 0.00 +0.073 A ATOM 2 N LIG 1 2.362 0.227 0.221 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 1.038 0.142 0.508 0.00 0.00 +0.120 A ATOM 4 C LIG 1 0.495 -0.391 1.687 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.432 -0.862 2.630 0.00 0.00 -0.014 A ATOM 6 C LIG 1 0.982 -1.411 3.842 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.380 -1.500 4.127 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.313 -1.042 3.202 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.893 -0.490 1.981 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.804 -0.778 2.347 0.00 0.00 +0.037 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.915 -0.036 1.042 0.00 0.00 +0.098 A ATOM 12 C LIG 1 -2.946 -0.799 0.434 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.278 -2.244 0.545 0.00 0.00 +0.148 C ATOM 14 N LIG 1 -4.363 -2.616 -0.386 0.00 0.00 -0.281 N ATOM 15 C LIG 1 -5.383 -1.593 -0.707 0.00 0.00 +0.116 C ATOM 16 C LIG 1 -4.787 -0.260 -1.210 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -4.481 -3.972 -0.648 0.00 0.00 +0.302 C ATOM 18 N LIG 1 -5.624 -4.350 -1.306 0.00 0.00 -0.302 N ATOM 19 H LIG 1 -6.455 -3.860 -1.017 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 -5.824 -5.742 -1.629 0.00 0.00 +0.129 C ATOM 21 O LIG 1 -3.622 -4.788 -0.324 0.00 0.00 -0.253 OA ATOM 22 C LIG 1 -3.632 0.097 -0.355 0.00 0.00 +0.046 A ATOM 23 N LIG 1 -3.008 1.299 -0.220 0.00 0.00 -0.264 N ATOM 24 N LIG 1 -1.971 1.245 0.641 0.00 0.00 -0.170 NA BRANCH 23 25 ATOM 25 C LIG 1 -3.308 2.555 -0.903 0.00 0.00 +0.112 C ATOM 26 C LIG 1 -3.447 3.733 0.074 0.00 0.00 +0.055 C ATOM 27 C LIG 1 -2.194 4.591 0.048 0.00 0.00 +0.162 C ATOM 28 O LIG 1 -1.975 5.162 -1.244 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -2.270 4.312 -2.351 0.00 0.00 +0.162 C ATOM 30 C LIG 1 -2.273 2.834 -2.002 0.00 0.00 +0.055 C ENDBRANCH 23 25 ENDBRANCH 9 11 BRANCH 1 34 ATOM 31 C LIG 1 7.304 0.215 0.002 0.00 0.00 +0.125 A ATOM 32 N LIG 1 6.383 1.079 -0.503 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 5.098 0.881 -0.108 0.00 0.00 +0.121 A ATOM 34 C LIG 1 4.662 -0.119 0.769 0.00 0.00 +0.018 A ATOM 35 C LIG 1 5.658 -0.986 1.249 0.00 0.00 +0.014 A ATOM 36 C LIG 1 6.991 -0.822 0.867 0.00 0.00 +0.033 A BRANCH 31 40 ATOM 37 C LIG 1 10.159 1.791 -1.906 0.00 0.00 +0.128 C ATOM 38 N LIG 1 8.902 1.504 -1.274 0.00 0.00 -0.313 N ATOM 39 H LIG 1 8.051 1.973 -1.578 0.00 0.00 +0.149 HD ATOM 40 C LIG 1 8.723 0.425 -0.435 0.00 0.00 +0.262 C ATOM 41 O LIG 1 9.624 -0.321 -0.068 0.00 0.00 -0.269 OA ENDBRANCH 31 40 ENDBRANCH 1 34 TORSDOF 4