REMARK Name = BDB014096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.806 -2.162 3.016 0.00 0.00 +0.172 C ATOM 2 N LIG 1 2.610 -1.039 2.132 0.00 0.00 -0.272 N ATOM 3 N LIG 1 2.116 -1.247 0.906 0.00 0.00 -0.165 NA ATOM 4 C LIG 1 2.081 -0.022 0.331 0.00 0.00 +0.168 A ATOM 5 C LIG 1 1.791 0.160 -1.108 0.00 0.00 +0.266 C ATOM 6 N LIG 1 1.017 -0.746 -1.803 0.00 0.00 -0.307 N ATOM 7 H LIG 1 1.021 -0.545 -2.797 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 0.729 -2.131 -1.467 0.00 0.00 +0.139 C ATOM 9 C LIG 1 -0.345 -2.737 -2.387 0.00 0.00 +0.169 C ATOM 10 C LIG 1 -1.756 -2.240 -2.044 0.00 0.00 +0.263 C ATOM 11 O LIG 1 -2.115 -2.704 -0.728 0.00 0.00 -0.473 OA ATOM 12 C LIG 1 -2.284 -1.780 0.245 0.00 0.00 +0.233 A ATOM 13 N LIG 1 -2.444 -0.522 0.024 0.00 0.00 -0.130 NA ATOM 14 N LIG 1 -2.533 0.297 1.138 0.00 0.00 -0.222 N ATOM 15 C LIG 1 -2.737 1.719 0.883 0.00 0.00 +0.182 C ATOM 16 C LIG 1 -1.621 2.341 0.077 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -0.336 2.478 0.626 0.00 0.00 +0.018 A ATOM 18 C LIG 1 0.690 3.070 -0.122 0.00 0.00 +0.037 A ATOM 19 C LIG 1 2.033 3.296 0.461 0.00 0.00 +0.248 C ATOM 20 N LIG 1 2.634 2.351 1.257 0.00 0.00 -0.278 N ATOM 21 H LIG 1 3.336 2.748 1.869 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 2.543 4.411 0.348 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 0.426 3.566 -1.403 0.00 0.00 +0.013 A ATOM 24 C LIG 1 -0.843 3.417 -1.961 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -1.858 2.804 -1.227 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -2.448 -0.169 2.445 0.00 0.00 +0.268 A ATOM 27 O LIG 1 -2.493 0.532 3.453 0.00 0.00 -0.266 OA ATOM 28 C LIG 1 -2.310 -1.635 2.608 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -2.241 -2.441 1.547 0.00 0.00 +0.074 A ATOM 30 O LIG 1 2.248 1.110 -1.746 0.00 0.00 -0.268 OA ATOM 31 C LIG 1 2.504 0.973 1.280 0.00 0.00 +0.084 A ATOM 32 C LIG 1 2.891 0.262 2.394 0.00 0.00 +0.132 A ENDROOT BRANCH 9 33 ATOM 33 O LIG 1 -0.019 -2.448 -3.752 0.00 0.00 -0.387 OA ATOM 34 H LIG 1 -0.658 -2.919 -4.314 0.00 0.00 +0.210 HD ENDBRANCH 9 33 TORSDOF 1