REMARK Name = BDB053738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.177 -0.503 -0.671 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -0.906 -1.418 0.091 0.00 0.00 -0.278 N ATOM 3 C LIG 1 -0.011 -2.237 0.779 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.274 -1.889 0.360 0.00 0.00 +0.105 A ATOM 5 N LIG 1 2.391 -2.528 0.793 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 2.188 -3.546 1.649 0.00 0.00 +0.111 A ATOM 7 C LIG 1 0.954 -3.975 2.100 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -0.190 -3.322 1.655 0.00 0.00 +0.030 A ATOM 9 C LIG 1 1.171 -0.821 -0.562 0.00 0.00 +0.125 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 2.218 -0.149 -1.317 0.00 0.00 +0.254 C ATOM 11 N LIG 1 3.329 0.345 -0.637 0.00 0.00 -0.295 N ATOM 12 C LIG 1 3.480 0.419 0.819 0.00 0.00 +0.123 C ATOM 13 C LIG 1 4.287 1.659 1.249 0.00 0.00 +0.100 C ATOM 14 N LIG 1 5.624 1.774 0.643 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 6.323 1.380 1.271 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 5.712 1.072 -0.651 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.385 0.986 -1.422 0.00 0.00 +0.123 C ATOM 18 O LIG 1 2.103 -0.005 -2.535 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 -2.321 -1.567 0.119 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -3.039 -1.573 -1.081 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -4.425 -1.731 -1.061 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -5.094 -1.882 0.153 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.380 -1.877 1.350 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.992 -1.723 1.338 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 O LIG 1 -0.708 0.501 -1.384 0.00 0.00 -0.438 OA BRANCH 25 28 ATOM 26 C LIG 1 -2.669 1.336 -3.210 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -2.623 1.824 -1.786 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -1.621 1.409 -0.882 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -1.559 1.974 0.408 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -0.433 1.733 1.372 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -2.592 2.836 0.818 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -3.628 3.179 -0.046 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.635 2.688 -1.347 0.00 0.00 +0.007 A ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4