REMARK Name = BDB055364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.502 0.247 -0.188 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -1.801 -0.966 -0.299 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.402 -1.001 -0.261 0.00 0.00 +0.010 A ATOM 4 C LIG 1 0.335 0.178 -0.110 0.00 0.00 -0.000 A ATOM 5 C LIG 1 -0.352 1.391 -0.001 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -1.751 1.424 -0.038 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.804 0.153 -0.080 0.00 0.00 +0.066 A ATOM 8 N LIG 1 2.492 0.921 -0.999 0.00 0.00 -0.319 N ATOM 9 H LIG 1 1.981 1.463 -1.685 0.00 0.00 +0.169 HD ATOM 10 C LIG 1 3.873 0.999 -1.088 0.00 0.00 +0.273 A ATOM 11 O LIG 1 4.412 1.699 -1.939 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 4.579 0.200 -0.113 0.00 0.00 +0.111 A ATOM 13 N LIG 1 3.875 -0.556 0.800 0.00 0.00 -0.317 N ATOM 14 C LIG 1 4.769 -1.214 1.610 0.00 0.00 +0.091 A ATOM 15 C LIG 1 6.046 -0.879 1.211 0.00 0.00 +0.020 A ATOM 16 C LIG 1 5.927 0.017 0.120 0.00 0.00 +0.033 A ATOM 17 C LIG 1 2.488 -0.580 0.817 0.00 0.00 +0.117 A ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 -4.549 -0.241 -1.579 0.00 0.00 +0.046 C ATOM 19 C LIG 1 -4.030 0.277 -0.232 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.628 -0.530 0.927 0.00 0.00 +0.046 C BRANCH 19 21 ATOM 21 O LIG 1 -4.497 1.625 -0.090 0.00 0.00 -0.385 OA ATOM 22 H LIG 1 -5.468 1.608 -0.127 0.00 0.00 +0.211 HD ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 3