REMARK Name = BDB055623 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.260 0.063 0.001 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -0.659 -0.888 0.418 0.00 0.00 +0.136 A ATOM 3 N LIG 1 -1.984 -0.624 0.390 0.00 0.00 -0.199 NA ATOM 4 C LIG 1 -2.397 0.564 -0.070 0.00 0.00 +0.217 A ATOM 5 N LIG 1 -1.576 1.519 -0.521 0.00 0.00 -0.222 NA ATOM 6 C LIG 1 -0.258 1.245 -0.478 0.00 0.00 +0.131 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 2.129 -1.294 -0.361 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.711 -0.192 -0.023 0.00 0.00 +0.249 C ATOM 9 N LIG 1 2.524 0.866 0.341 0.00 0.00 -0.311 N ATOM 10 H LIG 1 2.109 1.641 0.844 0.00 0.00 +0.149 HD BRANCH 9 11 ATOM 11 C LIG 1 3.960 0.694 0.479 0.00 0.00 +0.106 C BRANCH 11 12 ATOM 12 C LIG 1 4.664 0.626 -0.876 0.00 0.00 +0.038 C BRANCH 12 13 ATOM 13 C LIG 1 6.174 0.457 -0.729 0.00 0.00 +0.113 C BRANCH 13 14 ATOM 14 N LIG 1 6.821 1.667 -0.258 0.00 0.00 -0.264 N ATOM 15 C LIG 1 7.320 1.850 1.007 0.00 0.00 +0.403 C ATOM 16 O LIG 1 7.198 1.088 1.951 0.00 0.00 -0.226 OA ATOM 17 O LIG 1 7.992 3.039 1.066 0.00 0.00 -0.449 OA ATOM 18 C LIG 1 7.775 3.740 -0.166 0.00 0.00 +0.253 C ATOM 19 C LIG 1 7.294 2.689 -1.136 0.00 0.00 +0.152 C ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 2 20 ATOM 20 N LIG 1 -0.216 -2.102 0.983 0.00 0.00 -0.325 N ATOM 21 H LIG 1 0.584 -2.439 0.436 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.228 -3.133 1.196 0.00 0.00 +0.072 C ATOM 23 C LIG 1 -2.057 -2.875 2.468 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -1.820 -4.071 3.385 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -1.436 -5.193 2.439 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -0.544 -4.487 1.433 0.00 0.00 +0.022 C ENDBRANCH 20 22 ENDBRANCH 2 20 BRANCH 4 27 ATOM 27 N LIG 1 -3.769 0.766 -0.055 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -4.175 -0.158 0.052 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.260 1.513 -1.194 0.00 0.00 +0.141 C BRANCH 29 30 ATOM 30 C LIG 1 -5.769 1.577 -1.127 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -6.598 0.593 -1.688 0.00 0.00 +0.046 A ATOM 32 CL LIG 1 -5.953 -0.783 -2.509 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -7.990 0.690 -1.584 0.00 0.00 +0.022 A ATOM 34 C LIG 1 -8.572 1.765 -0.910 0.00 0.00 +0.021 A ATOM 35 C LIG 1 -7.760 2.737 -0.334 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 -8.472 4.056 0.508 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 -6.371 2.646 -0.434 0.00 0.00 +0.026 A ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 4 27 TORSDOF 10