REMARK Name = BDB006390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.200 5.188 1.610 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.969 3.735 1.841 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.729 3.039 1.687 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.952 1.697 2.001 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.080 0.744 1.950 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.359 1.165 1.570 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.604 2.499 1.237 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.290 1.577 2.338 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.569 3.442 1.306 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.913 2.808 2.260 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.358 3.009 2.575 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.956 2.970 0.824 0.00 0.00 +0.244 C ATOM 13 N LIG 1 3.769 2.035 0.221 0.00 0.00 -0.307 N ATOM 14 H LIG 1 3.359 1.178 -0.124 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.288 4.138 0.992 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.047 2.422 -0.328 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 5.834 1.206 -0.735 0.00 0.00 -0.030 A ATOM 18 C LIG 1 6.614 0.522 0.205 0.00 0.00 +0.006 A ATOM 19 C LIG 1 7.318 -0.630 -0.160 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.253 -1.135 -1.467 0.00 0.00 -0.018 A ATOM 21 C LIG 1 6.461 -0.447 -2.400 0.00 0.00 +0.009 A ATOM 22 C LIG 1 5.757 0.707 -2.040 0.00 0.00 +0.006 A BRANCH 20 23 ATOM 23 C LIG 1 7.987 -2.352 -1.848 0.00 0.00 -0.018 A ATOM 24 C LIG 1 9.371 -2.460 -1.632 0.00 0.00 +0.008 A ATOM 25 C LIG 1 10.069 -3.616 -1.992 0.00 0.00 +0.001 A ATOM 26 C LIG 1 9.393 -4.685 -2.575 0.00 0.00 +0.000 A ATOM 27 C LIG 1 8.022 -4.600 -2.796 0.00 0.00 +0.001 A ATOM 28 C LIG 1 7.325 -3.443 -2.436 0.00 0.00 +0.008 A ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -2.929 0.333 2.771 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 -3.826 -0.279 1.719 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -5.080 -0.784 2.088 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -5.920 -1.377 1.140 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.528 -1.486 -0.203 0.00 0.00 -0.017 A ATOM 34 C LIG 1 -4.264 -1.000 -0.565 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -3.422 -0.409 0.383 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -6.413 -2.109 -1.200 0.00 0.00 -0.004 A ATOM 37 C LIG 1 -7.662 -1.569 -1.567 0.00 0.00 +0.067 A ATOM 38 C LIG 1 -8.508 -2.241 -2.463 0.00 0.00 +0.015 A ATOM 39 C LIG 1 -8.106 -3.447 -3.032 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.864 -3.985 -2.704 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -6.030 -3.326 -1.796 0.00 0.00 +0.009 A BRANCH 37 42 ATOM 42 C LIG 1 -8.157 -0.292 -1.024 0.00 0.00 +0.337 C ATOM 43 O LIG 1 -9.216 -0.127 -0.449 0.00 0.00 -0.245 OA BRANCH 42 44 ATOM 44 O LIG 1 -7.326 0.721 -1.316 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 -7.748 1.510 -0.920 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 37 42 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9