REMARK Name = BDB011377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.387 -0.789 -0.324 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.484 0.020 0.372 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.758 -0.503 0.161 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.148 -0.183 0.562 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.870 -1.310 -0.115 0.00 0.00 -0.239 N ATOM 6 C LIG 1 -1.982 -2.203 -0.769 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -2.195 -3.256 -1.343 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.673 -1.633 -0.592 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.667 -1.835 -0.910 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.233 -1.578 0.056 0.00 0.00 +0.127 A ATOM 11 N LIG 1 -5.053 -2.396 -0.699 0.00 0.00 -0.253 N ATOM 12 C LIG 1 -4.829 -2.991 -1.997 0.00 0.00 +0.174 C ATOM 13 N LIG 1 -6.312 -2.482 -0.209 0.00 0.00 -0.175 NA ATOM 14 C LIG 1 -6.330 -1.643 0.826 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -7.572 -1.449 1.609 0.00 0.00 +0.067 C ATOM 16 C LIG 1 -5.073 -1.037 1.014 0.00 0.00 +0.068 A ENDBRANCH 5 10 BRANCH 1 18 ATOM 17 C LIG 1 3.756 -1.176 0.427 0.00 0.00 +0.228 A ATOM 18 C LIG 1 2.829 -0.584 -0.409 0.00 0.00 +0.078 A ATOM 19 C LIG 1 3.390 0.183 -1.403 0.00 0.00 +0.129 A ATOM 20 N LIG 1 4.716 0.392 -1.540 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 5.542 -0.206 -0.664 0.00 0.00 +0.220 A ATOM 22 N LIG 1 5.088 -0.990 0.327 0.00 0.00 -0.179 NA BRANCH 21 23 ATOM 23 N LIG 1 6.918 -0.025 -0.803 0.00 0.00 -0.306 N ATOM 24 C LIG 1 7.691 -0.292 0.398 0.00 0.00 +0.132 C ATOM 25 C LIG 1 7.301 1.137 -1.589 0.00 0.00 +0.132 C ENDBRANCH 21 23 BRANCH 17 27 ATOM 26 C LIG 1 4.294 -2.654 2.169 0.00 0.00 +0.279 C ATOM 27 O LIG 1 3.271 -1.977 1.448 0.00 0.00 -0.479 OA ENDBRANCH 17 27 ENDBRANCH 1 18 BRANCH 4 28 ATOM 28 C LIG 1 -2.617 1.183 0.091 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -2.990 2.158 1.032 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -3.414 3.424 0.618 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -3.473 3.736 -0.743 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -3.105 2.776 -1.689 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.681 1.511 -1.275 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 -3.906 5.036 -1.165 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -4.251 6.092 -1.501 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 4 28 BRANCH 2 36 ATOM 36 C LIG 1 0.747 1.211 1.181 0.00 0.00 +0.081 C ATOM 37 C LIG 1 1.097 2.429 0.328 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.756 0.994 2.308 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7