REMARK Name = BDB056015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.342 0.060 0.267 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -1.387 -1.303 0.368 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -2.217 -1.880 0.273 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -0.202 -1.872 0.643 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 0.651 -0.837 0.747 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.031 0.393 0.510 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.070 -1.044 1.064 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.629 -2.330 1.014 0.00 0.00 +0.010 A ATOM 9 C LIG 1 3.977 -2.544 1.319 0.00 0.00 +0.006 A ATOM 10 C LIG 1 4.797 -1.473 1.691 0.00 0.00 -0.030 A ATOM 11 C LIG 1 4.248 -0.185 1.736 0.00 0.00 +0.006 A ATOM 12 C LIG 1 2.899 0.026 1.428 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 6.253 -1.689 2.000 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 7.066 -1.349 0.853 0.00 0.00 -0.295 N ATOM 15 H LIG 1 6.720 -1.687 -0.031 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 8.444 -1.351 0.987 0.00 0.00 +0.305 C ATOM 17 N LIG 1 9.045 -1.070 -0.216 0.00 0.00 -0.252 N ATOM 18 H LIG 1 8.461 -0.710 -0.951 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 8.990 -1.562 2.060 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 10.408 -1.069 -0.439 0.00 0.00 +0.169 A ATOM 21 N LIG 1 11.349 -1.454 0.426 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 12.560 -1.303 -0.221 0.00 0.00 -0.358 OA ATOM 23 C LIG 1 12.345 -0.829 -1.475 0.00 0.00 +0.136 A ATOM 24 C LIG 1 13.540 -0.609 -2.305 0.00 0.00 +0.089 C ATOM 25 C LIG 1 10.995 -0.666 -1.664 0.00 0.00 +0.091 A ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 26 N LIG 1 -2.426 0.821 -0.022 0.00 0.00 -0.285 N ATOM 27 H LIG 1 -2.353 1.823 0.118 0.00 0.00 +0.155 HD BRANCH 26 33 ATOM 28 C LIG 1 -5.702 -2.674 0.567 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -5.353 -1.272 0.174 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -6.356 -0.468 -0.215 0.00 0.00 -0.218 NA ATOM 31 C LIG 1 -6.055 0.799 -0.540 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -4.747 1.248 -0.480 0.00 0.00 +0.087 A ATOM 33 C LIG 1 -3.770 0.371 -0.045 0.00 0.00 +0.129 A ATOM 34 N LIG 1 -4.067 -0.901 0.275 0.00 0.00 -0.217 NA BRANCH 31 35 ATOM 35 N LIG 1 -7.071 1.668 -0.989 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -7.248 2.854 -0.123 0.00 0.00 +0.122 C ATOM 37 C LIG 1 -8.332 3.798 -0.702 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -9.633 3.166 -1.011 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -10.381 2.849 0.204 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -9.394 1.958 -1.834 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -8.346 0.971 -1.268 0.00 0.00 +0.122 C ENDBRANCH 31 35 ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 7