REMARK Name = BDB032058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.473 2.192 -0.708 0.00 0.00 +0.152 C ATOM 2 N LIG 1 3.544 1.168 -0.263 0.00 0.00 -0.318 N ATOM 3 C LIG 1 3.550 -0.087 -0.917 0.00 0.00 +0.260 A ATOM 4 O LIG 1 4.293 -0.381 -1.850 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.574 -1.030 -0.385 0.00 0.00 +0.064 A ATOM 6 C LIG 1 2.242 -2.362 -0.724 0.00 0.00 +0.033 A ATOM 7 C LIG 1 1.229 -2.758 0.128 0.00 0.00 +0.087 A ATOM 8 N LIG 1 0.929 -1.705 0.968 0.00 0.00 -0.338 N ATOM 9 C LIG 1 1.756 -0.659 0.662 0.00 0.00 +0.056 A ATOM 10 C LIG 1 1.779 0.603 1.290 0.00 0.00 +0.044 A ATOM 11 C LIG 1 2.680 1.473 0.797 0.00 0.00 +0.091 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.114 -1.741 1.983 0.00 0.00 +0.217 C BRANCH 12 13 ATOM 13 C LIG 1 -1.277 -0.804 1.699 0.00 0.00 +0.237 C ATOM 14 N LIG 1 -1.718 -0.815 0.386 0.00 0.00 -0.284 N ATOM 15 H LIG 1 -1.169 -1.348 -0.280 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -1.772 -0.159 2.622 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.796 -0.093 -0.168 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -3.667 0.708 0.572 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -4.714 1.388 -0.059 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.900 1.271 -1.435 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.038 0.473 -2.182 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.993 -0.206 -1.551 0.00 0.00 +0.023 A ENDBRANCH 14 17 ENDBRANCH 12 13 ENDBRANCH 8 12 TORSDOF 3