REMARK Name = BDB007888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.088 -3.650 -1.076 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.534 -2.970 -0.012 0.00 0.00 +0.049 A ATOM 3 C LIG 1 1.264 -1.919 0.746 0.00 0.00 +0.066 C ATOM 4 C LIG 1 -0.741 -3.500 0.151 0.00 0.00 +0.077 A ATOM 5 C LIG 1 -0.821 -4.518 -0.826 0.00 0.00 +0.147 A ATOM 6 N LIG 1 0.271 -4.594 -1.585 0.00 0.00 -0.178 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.778 -3.168 1.111 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.832 -1.846 1.472 0.00 0.00 -0.307 N ATOM 9 H LIG 1 -1.217 -1.179 1.026 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -2.564 -4.007 1.536 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -2.762 -1.367 2.463 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 -2.957 0.131 2.339 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -2.083 1.037 2.990 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -0.934 0.568 3.846 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -2.294 2.423 2.862 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -3.353 2.938 2.106 0.00 0.00 -0.033 A ATOM 17 C LIG 1 -4.184 2.033 1.429 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -3.993 0.643 1.518 0.00 0.00 -0.045 A ATOM 19 C LIG 1 -4.929 -0.255 0.755 0.00 0.00 +0.044 C BRANCH 16 20 ATOM 20 C LIG 1 -3.573 4.424 1.931 0.00 0.00 +0.113 C BRANCH 20 21 ATOM 21 N LIG 1 -3.452 5.185 3.170 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 -4.004 4.724 3.893 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -2.485 5.165 3.487 0.00 0.00 +0.119 HD ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 2.436 -3.524 -1.631 0.00 0.00 +0.179 C BRANCH 24 31 ATOM 25 C LIG 1 4.631 3.530 -4.569 0.00 0.00 +0.065 C ATOM 26 C LIG 1 4.450 2.218 -3.871 0.00 0.00 +0.039 A ATOM 27 N LIG 1 3.369 1.473 -4.211 0.00 0.00 -0.252 NA ATOM 28 C LIG 1 3.171 0.295 -3.590 0.00 0.00 +0.071 A ATOM 29 C LIG 1 4.045 -0.185 -2.594 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.798 -1.419 -1.962 0.00 0.00 +0.015 A ATOM 31 C LIG 1 2.678 -2.191 -2.302 0.00 0.00 -0.025 A ATOM 32 C LIG 1 1.825 -1.717 -3.305 0.00 0.00 +0.007 A ATOM 33 C LIG 1 5.153 0.603 -2.258 0.00 0.00 +0.012 A ATOM 34 C LIG 1 2.075 -0.489 -3.927 0.00 0.00 +0.028 A ATOM 35 C LIG 1 5.358 1.819 -2.900 0.00 0.00 +0.023 A ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 7