REMARK Name = BDB020004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.297 -1.087 -0.172 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.239 0.152 0.199 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.610 0.413 0.054 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.436 -0.599 -0.460 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.923 -1.858 -0.811 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.549 -2.091 -0.661 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.171 1.712 0.443 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -1.856 2.846 -0.346 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -2.382 4.088 -0.009 0.00 0.00 +0.066 A ATOM 10 N LIG 1 -1.900 4.959 -0.951 0.00 0.00 -0.277 N ATOM 11 H LIG 1 -2.078 5.955 -1.019 0.00 0.00 +0.189 HD ATOM 12 N LIG 1 -1.105 4.390 -1.873 0.00 0.00 -0.181 NA ATOM 13 C LIG 1 -3.225 4.288 1.084 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -3.533 3.168 1.861 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.086 3.106 -1.508 0.00 0.00 +0.143 A ATOM 16 C LIG 1 -3.016 1.895 1.568 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -3.404 0.737 2.453 0.00 0.00 +0.044 C ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.597 -0.312 -0.066 0.00 0.00 -0.303 N ATOM 19 H LIG 1 2.271 0.605 -0.348 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.751 -1.390 -0.045 0.00 0.00 +0.245 C ATOM 21 O LIG 1 2.132 -2.552 0.039 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 4.044 -0.438 -0.093 0.00 0.00 +0.125 C BRANCH 22 26 ATOM 23 C LIG 1 7.656 1.044 -3.304 0.00 0.00 +0.044 C ATOM 24 C LIG 1 6.353 1.280 -2.602 0.00 0.00 -0.047 A ATOM 25 C LIG 1 5.847 0.336 -1.704 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.614 0.570 -1.094 0.00 0.00 +0.062 A ATOM 27 N LIG 1 3.874 1.689 -1.346 0.00 0.00 -0.258 NA ATOM 28 C LIG 1 4.378 2.577 -2.228 0.00 0.00 +0.111 A ATOM 29 C LIG 1 5.592 2.417 -2.876 0.00 0.00 +0.023 A ENDBRANCH 22 26 BRANCH 22 30 ATOM 30 C LIG 1 4.659 -0.191 1.269 0.00 0.00 +0.015 C ATOM 31 C LIG 1 3.981 -0.590 2.561 0.00 0.00 +0.006 C ATOM 32 C LIG 1 4.140 0.866 2.218 0.00 0.00 +0.006 C ENDBRANCH 22 30 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 -2.839 -2.951 -1.314 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -3.699 -3.441 -0.257 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -5.021 -3.041 -0.024 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -5.775 -2.245 -0.695 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -5.276 -1.901 -1.513 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -5.378 -3.706 1.152 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -6.631 -3.490 1.829 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -4.301 -4.433 1.633 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -3.283 -4.279 0.776 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 7