REMARK Name = BDB031191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.542 2.250 -0.879 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.356 3.056 -1.641 0.00 0.00 -0.346 N ATOM 3 H LIG 1 -2.344 3.203 -1.459 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -0.628 3.514 -2.700 0.00 0.00 +0.117 A ATOM 5 C LIG 1 0.641 2.990 -2.544 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.663 2.189 -1.413 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.265 0.789 -0.426 0.00 0.00 +0.227 C ATOM 8 N LIG 1 -1.993 0.502 0.038 0.00 0.00 -0.288 N ATOM 9 C LIG 1 -1.041 1.573 0.367 0.00 0.00 +0.144 C ATOM 10 C LIG 1 0.097 0.876 1.134 0.00 0.00 +0.063 C ATOM 11 C LIG 1 -0.569 -0.362 1.709 0.00 0.00 +0.134 C ATOM 12 C LIG 1 -1.538 -0.768 0.599 0.00 0.00 +0.140 C ATOM 13 O LIG 1 -3.613 1.958 -0.629 0.00 0.00 -0.275 OA BRANCH 11 14 ATOM 14 O LIG 1 -1.279 -0.001 2.894 0.00 0.00 -0.390 OA ATOM 15 H LIG 1 -1.679 -0.811 3.259 0.00 0.00 +0.210 HD ENDBRANCH 11 14 BRANCH 7 16 ATOM 16 C LIG 1 -4.219 -0.388 -0.685 0.00 0.00 +0.146 C BRANCH 16 20 ATOM 17 C LIG 1 -5.933 -0.995 2.509 0.00 0.00 +0.255 A ATOM 18 N LIG 1 -5.758 -2.231 2.034 0.00 0.00 -0.040 NA ATOM 19 O LIG 1 -5.124 -2.062 0.813 0.00 0.00 -0.355 OA ATOM 20 C LIG 1 -4.920 -0.732 0.587 0.00 0.00 +0.153 A ATOM 21 C LIG 1 -5.420 -0.014 1.649 0.00 0.00 +0.115 A BRANCH 17 23 ATOM 22 C LIG 1 -7.040 -1.926 4.336 0.00 0.00 +0.279 C ATOM 23 O LIG 1 -6.526 -0.761 3.700 0.00 0.00 -0.478 OA ENDBRANCH 17 23 ENDBRANCH 16 20 BRANCH 16 24 ATOM 24 C LIG 1 -5.187 -0.105 -1.868 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -6.373 0.811 -1.542 0.00 0.00 +0.008 C ATOM 26 C LIG 1 -5.717 -1.416 -2.464 0.00 0.00 +0.008 C ENDBRANCH 16 24 ENDBRANCH 7 16 ENDBRANCH 1 9 BRANCH 5 27 ATOM 27 C LIG 1 1.768 3.189 -3.471 0.00 0.00 +0.266 C ATOM 28 N LIG 1 3.071 2.931 -3.020 0.00 0.00 -0.295 N ATOM 29 C LIG 1 4.148 2.992 -3.993 0.00 0.00 +0.132 C ATOM 30 O LIG 1 1.555 3.561 -4.627 0.00 0.00 -0.268 OA BRANCH 28 31 ATOM 31 C LIG 1 3.463 2.970 -1.611 0.00 0.00 +0.142 C BRANCH 31 32 ATOM 32 C LIG 1 4.010 1.660 -1.086 0.00 0.00 -0.030 A ATOM 33 C LIG 1 5.053 1.667 -0.153 0.00 0.00 +0.006 A ATOM 34 C LIG 1 5.546 0.470 0.380 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.002 -0.768 0.005 0.00 0.00 -0.018 A ATOM 36 C LIG 1 3.949 -0.768 -0.922 0.00 0.00 +0.009 A ATOM 37 C LIG 1 3.456 0.428 -1.455 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 5.513 -2.025 0.575 0.00 0.00 -0.015 A ATOM 39 C LIG 1 5.605 -2.207 1.961 0.00 0.00 +0.031 A ATOM 40 C LIG 1 6.088 -3.411 2.469 0.00 0.00 +0.039 A ATOM 41 C LIG 1 6.181 -3.618 3.951 0.00 0.00 +0.065 C ATOM 42 N LIG 1 6.484 -4.430 1.674 0.00 0.00 -0.260 NA ATOM 43 C LIG 1 6.394 -4.242 0.340 0.00 0.00 +0.111 A ATOM 44 C LIG 1 5.921 -3.080 -0.246 0.00 0.00 +0.028 A ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 5 27 TORSDOF 10