REMARK Name = BDB054865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.870 0.444 1.029 0.00 0.00 +0.094 A ATOM 2 N LIG 1 -2.680 1.016 2.231 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -1.349 1.090 2.365 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -0.984 1.500 3.215 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -0.650 0.586 1.305 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.614 0.159 0.421 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -6.827 -0.298 -0.491 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -5.700 -0.607 -1.260 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -4.409 -0.367 -0.770 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -4.217 0.188 0.501 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -5.353 0.495 1.264 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.644 0.255 0.774 0.00 0.00 +0.024 A BRANCH 7 15 ATOM 13 O LIG 1 -9.588 0.100 0.588 0.00 0.00 -0.226 OA ATOM 14 C LIG 1 -9.327 -0.365 -0.511 0.00 0.00 +0.410 C ATOM 15 N LIG 1 -8.085 -0.570 -1.056 0.00 0.00 -0.251 N ATOM 16 H LIG 1 -8.108 -0.970 -1.983 0.00 0.00 +0.158 HD BRANCH 14 17 ATOM 17 O LIG 1 -10.273 -0.787 -1.443 0.00 0.00 -0.411 OA BRANCH 17 18 ATOM 18 C LIG 1 -11.606 -0.675 -1.034 0.00 0.00 +0.133 A ATOM 19 C LIG 1 -12.417 0.249 -1.690 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -13.764 0.342 -1.341 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -14.289 -0.495 -0.354 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -13.471 -1.431 0.284 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -12.123 -1.530 -0.061 0.00 0.00 +0.046 A ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 5 24 ATOM 24 N LIG 1 0.732 0.573 1.276 0.00 0.00 -0.267 N ATOM 25 H LIG 1 1.237 0.972 2.056 0.00 0.00 +0.157 HD ATOM 26 C LIG 1 1.448 0.117 0.180 0.00 0.00 +0.249 C ATOM 27 O LIG 1 0.985 -0.268 -0.888 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 2.928 0.151 0.342 0.00 0.00 +0.037 A ATOM 29 C LIG 1 3.716 0.457 -0.774 0.00 0.00 +0.016 A ATOM 30 C LIG 1 5.110 0.503 -0.666 0.00 0.00 +0.046 A ATOM 31 C LIG 1 5.727 0.231 0.556 0.00 0.00 +0.121 A ATOM 32 C LIG 1 4.938 -0.094 1.664 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.545 -0.140 1.563 0.00 0.00 +0.016 A BRANCH 31 34 ATOM 34 O LIG 1 7.072 0.239 0.798 0.00 0.00 -0.491 OA BRANCH 34 35 ATOM 35 C LIG 1 7.932 0.537 -0.308 0.00 0.00 +0.244 C BRANCH 35 36 ATOM 36 C LIG 1 9.385 0.498 0.195 0.00 0.00 +0.125 C BRANCH 36 37 ATOM 37 N LIG 1 10.365 0.851 -0.849 0.00 0.00 -0.299 NA ATOM 38 C LIG 1 11.699 1.085 -0.269 0.00 0.00 +0.084 C ATOM 39 C LIG 1 12.341 -0.286 -0.133 0.00 0.00 +0.017 C ATOM 40 C LIG 1 11.642 -1.152 -1.171 0.00 0.00 +0.017 C ATOM 41 C LIG 1 10.593 -0.247 -1.803 0.00 0.00 +0.084 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 5 24 TORSDOF 10