REMARK Name = BDB026634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.242 -0.635 -0.358 0.00 0.00 -0.047 A ATOM 2 C LIG 1 -1.370 -1.134 0.615 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.014 -0.998 0.465 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.555 -0.362 -0.659 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -0.313 0.130 -1.633 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.699 -0.007 -1.484 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 1.962 -0.271 -0.729 0.00 0.00 -0.284 N ATOM 8 H LIG 1 2.455 -0.675 0.060 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 2.720 0.363 -1.700 0.00 0.00 +0.237 C ATOM 10 O LIG 1 2.283 0.947 -2.689 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 4.223 0.230 -1.518 0.00 0.00 +0.218 C BRANCH 11 12 ATOM 12 N LIG 1 4.665 0.409 -0.149 0.00 0.00 -0.328 N ATOM 13 C LIG 1 4.561 1.558 0.581 0.00 0.00 +0.199 A ATOM 14 N LIG 1 5.019 1.386 1.800 0.00 0.00 -0.244 NA ATOM 15 C LIG 1 5.460 0.090 1.848 0.00 0.00 +0.130 A ATOM 16 C LIG 1 5.249 -0.540 0.644 0.00 0.00 +0.107 A ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 C LIG 1 -3.737 -0.776 -0.200 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 18 C LIG 1 -4.353 1.709 -0.208 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -4.460 0.375 0.531 0.00 0.00 -0.013 C ATOM 20 C LIG 1 -4.010 0.531 1.984 0.00 0.00 +0.007 C ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5