REMARK Name = BDB058759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.843 0.317 -3.542 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.289 -0.232 -2.273 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.760 0.041 -0.952 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.957 -0.669 -0.057 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.156 -0.600 1.333 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.200 0.196 1.819 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.029 0.901 0.944 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.019 -1.355 -0.813 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.806 0.840 -0.440 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.220 -1.109 -2.158 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.628 -1.707 -3.230 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.147 1.753 1.435 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.738 1.360 2.618 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.545 0.433 2.970 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.519 2.721 0.781 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.917 2.026 3.129 0.00 0.00 +0.141 C BRANCH 16 17 ATOM 17 C LIG 1 7.162 1.255 2.800 0.00 0.00 -0.012 A ATOM 18 C LIG 1 7.838 0.525 3.771 0.00 0.00 +0.115 A ATOM 19 N LIG 1 8.954 -0.202 3.537 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 9.423 -0.201 2.271 0.00 0.00 +0.111 A ATOM 21 C LIG 1 8.827 0.490 1.229 0.00 0.00 +0.020 A ATOM 22 C LIG 1 7.679 1.228 1.501 0.00 0.00 +0.008 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 23 ATOM 23 C LIG 1 -1.007 -2.241 -0.260 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -2.390 -1.634 -0.289 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -3.473 -2.393 -0.752 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.764 -1.855 -0.781 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.010 -0.545 -0.346 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -3.928 0.201 0.145 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -2.638 -0.336 0.179 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.361 0.039 -0.409 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -7.102 0.158 -1.604 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -8.407 0.677 -1.594 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -8.982 1.112 -0.403 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.261 1.022 0.784 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.968 0.488 0.780 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -6.584 -0.261 -2.928 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -7.215 -0.984 -3.680 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.402 0.301 -3.250 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -5.011 0.858 -2.550 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 8