REMARK Name = BDB058718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.456 1.947 -0.240 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.236 0.514 0.220 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.289 0.014 1.569 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.853 -1.308 1.535 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.723 -2.104 2.681 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.076 -1.532 3.904 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.541 -0.225 3.980 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -0.942 -2.472 5.340 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -0.579 -1.607 0.227 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -0.143 -2.470 -0.066 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -1.654 0.555 2.822 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.986 -0.591 -0.609 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -1.036 -0.667 -2.055 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -1.110 0.284 -2.818 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -1.084 -1.939 -2.516 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -1.288 -2.621 -1.855 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -3.921 1.786 -0.247 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.733 1.022 -0.886 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.835 2.510 0.220 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -2.953 3.507 0.928 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -5.605 2.024 1.556 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -5.331 2.089 0.044 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -5.721 3.467 -0.511 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -6.198 1.021 -0.648 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.275 2.783 0.062 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -0.027 3.283 1.325 0.00 0.00 +0.329 C ATOM 27 O LIG 1 1.004 3.843 1.684 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 0.791 2.881 -0.936 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 1.688 1.662 -1.014 0.00 0.00 -0.030 A ATOM 30 C LIG 1 1.889 1.009 -2.236 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.695 -0.130 -2.311 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.341 -0.622 -1.176 0.00 0.00 +0.121 A ATOM 33 C LIG 1 3.174 0.038 0.040 0.00 0.00 +0.046 A ATOM 34 C LIG 1 2.360 1.174 0.116 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 4.085 -1.750 -1.382 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 4.949 -2.155 -0.321 0.00 0.00 +0.264 C BRANCH 36 37 ATOM 37 C LIG 1 5.795 -3.308 -0.802 0.00 0.00 -0.008 A ATOM 38 C LIG 1 6.537 -3.203 -1.984 0.00 0.00 +0.026 A ATOM 39 C LIG 1 7.315 -4.280 -2.381 0.00 0.00 +0.111 A ATOM 40 N LIG 1 7.410 -5.434 -1.687 0.00 0.00 -0.263 NA ATOM 41 C LIG 1 6.694 -5.514 -0.546 0.00 0.00 +0.111 A ATOM 42 C LIG 1 5.886 -4.493 -0.066 0.00 0.00 +0.026 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11