REMARK Name = BDB056886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.236 4.691 2.559 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.462 3.924 2.129 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.282 2.599 1.752 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.035 1.862 2.048 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.958 0.620 1.236 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.910 -0.321 1.076 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -1.268 -1.298 0.229 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.516 -0.976 -0.172 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -2.977 0.152 0.435 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -4.290 0.822 0.274 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.489 1.800 1.451 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -4.561 4.479 2.113 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.408 -0.310 1.702 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.598 -0.172 0.935 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.842 -0.147 1.599 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.023 -0.002 0.855 0.00 0.00 +0.037 A ATOM 17 C LIG 1 3.950 0.122 -0.528 0.00 0.00 +0.076 A ATOM 18 N LIG 1 2.779 0.109 -1.192 0.00 0.00 -0.254 NA ATOM 19 C LIG 1 2.885 -0.264 2.999 0.00 0.00 +0.008 A ATOM 20 C LIG 1 1.714 -0.406 3.743 0.00 0.00 +0.001 A ATOM 21 C LIG 1 1.647 -0.044 -0.461 0.00 0.00 +0.120 A ATOM 22 C LIG 1 0.481 -0.429 3.098 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.126 0.282 -1.364 0.00 0.00 +0.056 A ATOM 24 C LIG 1 5.246 0.769 -2.692 0.00 0.00 +0.171 A ATOM 25 N LIG 1 6.518 0.753 -3.126 0.00 0.00 -0.160 NA ATOM 26 N LIG 1 7.201 0.235 -2.093 0.00 0.00 -0.273 N ATOM 27 C LIG 1 8.627 0.043 -2.212 0.00 0.00 +0.172 C ATOM 28 C LIG 1 6.420 -0.058 -1.012 0.00 0.00 +0.119 A BRANCH 24 29 ATOM 29 C LIG 1 4.220 1.274 -3.563 0.00 0.00 +0.122 C ATOM 30 N LIG 1 3.409 1.702 -4.279 0.00 0.00 -0.189 NA ENDBRANCH 24 29 ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 31 ATOM 31 C LIG 1 -3.202 -1.813 -1.148 0.00 0.00 +0.112 C ATOM 32 C LIG 1 -2.366 -2.056 -2.409 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -3.121 -2.970 -3.361 0.00 0.00 +0.162 C ATOM 34 O LIG 1 -3.476 -4.191 -2.716 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -4.332 -3.995 -1.593 0.00 0.00 +0.162 C ATOM 36 C LIG 1 -3.651 -3.141 -0.535 0.00 0.00 +0.055 C ENDBRANCH 8 31 TORSDOF 4