REMARK Name = BDB042140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.776 0.268 2.627 0.00 0.00 +0.120 C ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 4.696 0.188 0.357 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.962 1.539 0.520 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.880 2.190 0.061 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.888 2.086 1.357 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.961 1.071 1.600 0.00 0.00 -0.014 A ATOM 7 C LIG 1 1.822 1.324 2.357 0.00 0.00 -0.028 A ATOM 8 C LIG 1 1.662 2.631 2.859 0.00 0.00 +0.005 A ATOM 9 C LIG 1 2.610 3.641 2.607 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.743 3.371 1.842 0.00 0.00 +0.013 A ATOM 11 C LIG 1 3.400 -0.178 0.908 0.00 0.00 +0.145 C BRANCH 2 18 ATOM 12 O LIG 1 7.675 -1.677 -3.888 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 7.042 -1.313 -2.901 0.00 0.00 +0.219 C ATOM 14 N LIG 1 5.817 -0.708 -3.030 0.00 0.00 -0.255 N ATOM 15 H LIG 1 5.496 -0.558 -3.977 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 4.919 -0.396 -2.035 0.00 0.00 +0.240 C ATOM 17 O LIG 1 3.782 -0.023 -2.321 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.384 -0.675 -0.597 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.908 -0.611 -0.503 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.516 -1.591 -1.493 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 N LIG 1 -0.514 0.563 1.988 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -0.443 0.448 0.518 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -1.816 0.677 -0.156 0.00 0.00 +0.100 C ATOM 24 N LIG 1 -2.860 -0.262 0.335 0.00 0.00 -0.289 NA ATOM 25 C LIG 1 -2.922 -0.117 1.812 0.00 0.00 +0.100 C ATOM 26 C LIG 1 -1.553 -0.356 2.487 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.184 0.038 -0.292 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 C LIG 1 -5.316 -0.853 0.231 0.00 0.00 -0.023 A ATOM 29 C LIG 1 -5.181 -2.245 0.323 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.249 -2.992 0.794 0.00 0.00 +0.111 A ATOM 31 N LIG 1 -7.430 -2.461 1.172 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 -7.550 -1.121 1.065 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -6.541 -0.288 0.607 0.00 0.00 +0.025 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.166 -0.016 -1.826 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -4.790 1.001 -2.568 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.802 0.962 -3.964 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.195 -0.096 -4.638 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.577 -1.116 -3.919 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.564 -1.079 -2.523 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6