REMARK Name = BDB050762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.197 1.278 2.421 0.00 0.00 +0.032 A ATOM 2 C LIG 1 0.100 1.277 1.549 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.896 2.268 1.605 0.00 0.00 +0.019 A ATOM 4 C LIG 1 -0.790 3.263 2.584 0.00 0.00 +0.011 A ATOM 5 C LIG 1 0.277 3.257 3.485 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.255 2.265 3.410 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.000 2.214 0.639 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -3.079 3.069 0.623 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -3.240 3.825 1.270 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -3.909 2.728 -0.415 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -3.284 1.641 -1.016 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -3.881 1.042 -2.143 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -5.096 1.573 -2.616 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.701 2.663 -1.983 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -5.117 3.267 -0.864 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -2.116 1.338 -0.345 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -3.266 -0.110 -2.843 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -3.755 -0.575 -3.865 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -2.123 -0.632 -2.311 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -1.680 -0.209 -1.497 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -1.656 -1.385 -2.794 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 N LIG 1 2.178 0.254 2.409 0.00 0.00 -0.313 N ATOM 23 H LIG 1 3.076 0.632 2.702 0.00 0.00 +0.152 HD BRANCH 22 27 ATOM 24 C LIG 1 1.382 -4.114 0.402 0.00 0.00 +0.146 A ATOM 25 C LIG 1 1.963 -2.833 0.315 0.00 0.00 +0.115 A ATOM 26 C LIG 1 1.788 -1.959 1.407 0.00 0.00 +0.026 A ATOM 27 C LIG 1 2.372 -0.667 1.327 0.00 0.00 +0.050 A ATOM 28 C LIG 1 3.108 -0.282 0.179 0.00 0.00 +0.022 A ATOM 29 C LIG 1 3.226 -1.236 -0.843 0.00 0.00 +0.074 A ATOM 30 C LIG 1 3.941 -0.911 -1.989 0.00 0.00 +0.028 A ATOM 31 C LIG 1 4.542 0.337 -2.157 0.00 0.00 +0.002 A ATOM 32 C LIG 1 4.428 1.292 -1.158 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.716 0.988 0.000 0.00 0.00 +0.012 A ATOM 34 C LIG 1 1.059 -2.394 2.540 0.00 0.00 +0.012 A ATOM 35 C LIG 1 0.522 -3.675 2.614 0.00 0.00 +0.004 A ATOM 36 N LIG 1 2.674 -2.454 -0.770 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 0.694 -4.539 1.546 0.00 0.00 +0.048 A BRANCH 24 39 ATOM 38 C LIG 1 1.231 -4.617 -1.897 0.00 0.00 +0.277 C ATOM 39 O LIG 1 1.470 -5.088 -0.571 0.00 0.00 -0.493 OA ENDBRANCH 24 39 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 5