REMARK Name = BDB053414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.149 -0.361 -0.593 0.00 0.00 +0.190 C ATOM 2 N LIG 1 -0.709 0.912 -0.428 0.00 0.00 -0.242 N ATOM 3 C LIG 1 -1.427 2.145 -0.647 0.00 0.00 +0.141 C ATOM 4 C LIG 1 0.625 0.876 -0.135 0.00 0.00 +0.271 C ATOM 5 O LIG 1 1.384 1.803 0.069 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 0.917 -0.589 -0.147 0.00 0.00 +0.130 C ATOM 7 C LIG 1 2.091 -1.194 0.074 0.00 0.00 +0.044 C ATOM 8 N LIG 1 -0.236 -1.279 -0.454 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 3.366 -0.541 0.384 0.00 0.00 +0.019 A ATOM 10 C LIG 1 4.432 -0.535 -0.527 0.00 0.00 +0.124 A ATOM 11 C LIG 1 5.656 0.043 -0.194 0.00 0.00 +0.046 A ATOM 12 C LIG 1 5.829 0.631 1.058 0.00 0.00 +0.004 A ATOM 13 C LIG 1 4.779 0.636 1.974 0.00 0.00 +0.001 A ATOM 14 C LIG 1 3.555 0.049 1.642 0.00 0.00 +0.011 A BRANCH 10 15 ATOM 15 O LIG 1 4.342 -1.084 -1.778 0.00 0.00 -0.506 OA ATOM 16 H LIG 1 3.410 -1.294 -1.954 0.00 0.00 +0.292 HD ENDBRANCH 10 15 ENDBRANCH 7 9 BRANCH 1 17 ATOM 17 N LIG 1 -2.436 -0.694 -0.903 0.00 0.00 -0.317 N ATOM 18 H LIG 1 -2.454 -1.696 -1.089 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 -3.533 -0.347 -0.006 0.00 0.00 +0.104 C BRANCH 19 21 ATOM 20 C LIG 1 -6.031 -0.484 0.290 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -4.852 -0.827 -0.607 0.00 0.00 +0.015 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5