REMARK Name = BDB053023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.833 -0.725 1.119 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -0.035 -0.608 -0.209 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.263 -1.637 -0.833 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.452 0.618 -0.607 0.00 0.00 -0.285 N ATOM 5 C LIG 1 -0.326 1.846 -0.438 0.00 0.00 +0.080 C ATOM 6 C LIG 1 -0.002 2.676 -1.698 0.00 0.00 +0.016 C ATOM 7 C LIG 1 1.428 2.245 -2.024 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -0.000 2.490 0.911 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -0.159 1.537 2.100 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.414 0.745 -1.718 0.00 0.00 +0.163 C ATOM 11 C LIG 1 -1.277 0.511 1.911 0.00 0.00 +0.032 C ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -3.009 -1.417 0.154 0.00 0.00 +0.230 C ATOM 13 N LIG 1 -1.902 -1.706 0.928 0.00 0.00 -0.303 N ATOM 14 H LIG 1 -1.605 -2.674 0.936 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -3.236 -0.301 -0.309 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 -3.926 -2.633 -0.106 0.00 0.00 +0.137 C ATOM 17 C LIG 1 -3.371 -3.426 -1.287 0.00 0.00 +0.034 C BRANCH 16 19 ATOM 18 C LIG 1 -6.009 -1.732 0.763 0.00 0.00 +0.101 C ATOM 19 N LIG 1 -5.302 -2.194 -0.426 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 -5.223 -1.405 -1.076 0.00 0.00 +0.122 HD ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 10 21 ATOM 21 C LIG 1 2.826 0.240 -1.334 0.00 0.00 +0.234 C ATOM 22 N LIG 1 2.893 -1.117 -1.119 0.00 0.00 -0.307 N ATOM 23 H LIG 1 2.007 -1.624 -1.092 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 3.805 0.976 -1.243 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 4.044 -1.782 -0.529 0.00 0.00 +0.103 C ATOM 26 C LIG 1 3.781 -2.112 0.937 0.00 0.00 -0.024 A ATOM 27 C LIG 1 4.066 -3.385 1.469 0.00 0.00 -0.042 A ATOM 28 C LIG 1 3.797 -3.651 2.822 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.293 -2.655 3.657 0.00 0.00 +0.000 A ATOM 30 C LIG 1 3.057 -1.382 3.152 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.627 -4.493 0.612 0.00 0.00 +0.035 C ATOM 32 C LIG 1 5.306 -3.967 -0.649 0.00 0.00 +0.007 C ATOM 33 C LIG 1 3.305 -1.112 1.806 0.00 0.00 +0.006 A ATOM 34 C LIG 1 4.368 -3.019 -1.380 0.00 0.00 +0.027 C ENDBRANCH 22 25 ENDBRANCH 10 21 BRANCH 6 35 ATOM 35 C LIG 1 -0.149 4.198 -1.611 0.00 0.00 +0.040 C BRANCH 35 36 ATOM 36 C LIG 1 -1.551 4.689 -1.330 0.00 0.00 -0.047 A ATOM 37 C LIG 1 -1.765 5.653 -0.333 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -3.050 6.131 -0.066 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.135 5.661 -0.802 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.934 4.719 -1.808 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.650 4.241 -2.075 0.00 0.00 +0.003 A ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 7