REMARK Name = BDB003036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.299 -0.525 -0.690 0.00 0.00 -0.326 N ATOM 2 C LIG 1 4.408 0.097 -0.064 0.00 0.00 +0.051 A ATOM 3 C LIG 1 4.190 0.951 1.043 0.00 0.00 -0.001 A ATOM 4 C LIG 1 5.262 1.579 1.697 0.00 0.00 +0.010 A ATOM 5 C LIG 1 6.568 1.378 1.263 0.00 0.00 +0.001 A ATOM 6 C LIG 1 6.806 0.551 0.173 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.830 1.199 1.525 0.00 0.00 +0.013 A ATOM 8 C LIG 1 1.773 0.653 0.917 0.00 0.00 +0.047 A ATOM 9 C LIG 1 5.740 -0.079 -0.481 0.00 0.00 +0.026 A ATOM 10 C LIG 1 1.988 -0.242 -0.273 0.00 0.00 +0.135 A ATOM 11 N LIG 1 0.984 -0.770 -0.933 0.00 0.00 -0.230 NA ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 -0.345 -0.526 -0.577 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -1.041 0.545 -1.127 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -2.380 0.776 -0.780 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -3.073 -0.059 0.111 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -2.351 -1.144 0.636 0.00 0.00 +0.025 A ATOM 17 C LIG 1 -1.013 -1.381 0.293 0.00 0.00 +0.029 A BRANCH 15 18 ATOM 18 N LIG 1 -4.391 0.177 0.454 0.00 0.00 -0.326 N ATOM 19 C LIG 1 -5.019 -0.441 1.633 0.00 0.00 +0.133 C ATOM 20 C LIG 1 -6.214 0.410 2.097 0.00 0.00 +0.178 C ATOM 21 O LIG 1 -7.237 0.577 1.105 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -6.740 0.503 -0.238 0.00 0.00 +0.178 C ATOM 23 C LIG 1 -5.285 0.979 -0.397 0.00 0.00 +0.133 C ENDBRANCH 15 18 ENDBRANCH 11 12 BRANCH 1 25 ATOM 24 C LIG 1 3.552 -0.637 -3.141 0.00 0.00 +0.027 C ATOM 25 C LIG 1 3.516 -1.419 -1.836 0.00 0.00 +0.120 C ENDBRANCH 1 25 TORSDOF 3