REMARK Name = BDB011746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.522 -1.061 -0.687 0.00 0.00 +0.247 C ATOM 2 C LIG 1 0.637 0.125 -1.035 0.00 0.00 +0.250 C ATOM 3 O LIG 1 1.126 1.219 -1.336 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.737 -0.116 -1.008 0.00 0.00 -0.263 N ATOM 5 C LIG 1 -1.283 -1.450 -0.990 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.723 -2.550 -1.698 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -1.432 -3.774 -1.706 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.623 -3.943 -1.002 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.133 -2.891 -0.266 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.510 -2.501 -2.433 0.00 0.00 -0.271 N ATOM 11 C LIG 1 0.673 -3.354 -3.604 0.00 0.00 +0.138 C ATOM 12 C LIG 1 -2.467 -1.665 -0.260 0.00 0.00 +0.025 A ATOM 13 C LIG 1 1.662 -1.862 -1.969 0.00 0.00 +0.249 C ATOM 14 O LIG 1 2.745 -1.939 -2.559 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 3.017 -0.103 1.017 0.00 0.00 +0.231 C ATOM 16 N LIG 1 2.837 -0.580 -0.258 0.00 0.00 -0.295 N ATOM 17 H LIG 1 3.454 -0.265 -1.000 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 2.156 -0.207 1.890 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 4.380 0.580 1.263 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 N LIG 1 4.176 1.824 2.043 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 3.567 1.590 2.833 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 3.525 2.861 1.248 0.00 0.00 +0.101 C ENDBRANCH 19 20 BRANCH 19 24 ATOM 23 C LIG 1 5.720 -1.588 1.279 0.00 0.00 +0.006 C ATOM 24 C LIG 1 5.296 -0.355 2.067 0.00 0.00 +0.025 C ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 25 ATOM 25 C LIG 1 -1.607 1.006 -1.429 0.00 0.00 +0.149 C BRANCH 25 26 ATOM 26 C LIG 1 -2.721 1.447 -0.485 0.00 0.00 -0.019 A ATOM 27 C LIG 1 -2.418 1.976 0.815 0.00 0.00 -0.013 A ATOM 28 C LIG 1 -3.486 2.341 1.674 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -3.230 2.840 2.963 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -1.928 2.995 3.428 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -0.866 2.663 2.603 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.808 2.212 1.241 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.100 1.734 -0.032 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -1.109 2.169 1.318 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -4.077 1.353 -0.907 0.00 0.00 -0.045 A ATOM 36 C LIG 1 -4.471 0.853 -2.272 0.00 0.00 +0.044 C ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 6