REMARK Name = BDB010387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.561 -1.942 0.720 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.330 -1.315 0.507 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.528 -1.805 -0.462 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.669 -1.077 -0.539 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.609 -0.189 0.427 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.276 -2.868 -1.241 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -0.904 -3.427 -0.953 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.354 -0.226 1.026 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.804 -3.029 -0.036 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.250 -4.618 -1.761 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.378 -5.058 -2.684 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.522 -4.665 -2.906 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.932 -6.130 -3.263 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.437 -6.802 -4.154 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.159 -6.351 -2.686 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.330 -5.327 -1.697 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.605 0.692 0.721 0.00 0.00 -0.293 N ATOM 18 C LIG 1 3.591 1.025 -0.347 0.00 0.00 +0.106 C ATOM 19 C LIG 1 4.346 2.307 0.080 0.00 0.00 +0.182 C ATOM 20 O LIG 1 5.083 2.175 1.308 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 4.495 1.259 2.242 0.00 0.00 +0.179 C ATOM 22 C LIG 1 2.978 1.081 2.086 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 4.577 -0.130 -0.655 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 5.128 -0.050 -2.062 0.00 0.00 -0.046 A ATOM 25 C LIG 1 4.354 -0.495 -3.143 0.00 0.00 +0.004 A ATOM 26 C LIG 1 4.845 -0.411 -4.446 0.00 0.00 +0.000 A ATOM 27 C LIG 1 6.113 0.116 -4.680 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.892 0.560 -3.612 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.402 0.478 -2.308 0.00 0.00 +0.004 A ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 30 ATOM 30 N LIG 1 -2.487 -1.524 1.659 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -2.466 -0.530 1.825 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -3.912 -3.532 2.062 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -3.861 -2.051 1.701 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -4.688 -1.655 0.473 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.226 -1.888 0.537 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -6.190 -2.056 -0.995 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -4.721 -2.496 -0.838 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 -0.220 0.744 1.941 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -1.174 1.756 1.269 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -0.435 2.797 0.401 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -0.116 4.074 1.172 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.389 4.774 1.684 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -1.822 5.902 0.746 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -2.552 3.792 1.904 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -2.044 2.427 2.352 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 9