REMARK Name = BDB045260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.602 0.656 -0.682 0.00 0.00 +0.247 C ATOM 2 N LIG 1 0.402 0.226 -0.101 0.00 0.00 -0.295 N ATOM 3 O LIG 1 1.737 1.725 -1.270 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 4.882 -0.816 0.396 0.00 0.00 +0.163 A ATOM 5 C LIG 1 5.026 -1.890 -0.504 0.00 0.00 +0.162 A ATOM 6 C LIG 1 4.042 -2.090 -1.483 0.00 0.00 +0.050 A ATOM 7 C LIG 1 2.924 -1.253 -1.548 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.780 -0.223 -0.618 0.00 0.00 +0.041 A ATOM 9 C LIG 1 3.755 0.008 0.349 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 6.120 -2.696 -0.338 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 6.343 -3.717 -1.300 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 5.766 -0.522 1.404 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 7.119 -0.367 0.953 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 7.775 0.694 1.833 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 9.250 0.888 1.501 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 9.163 2.554 -0.196 0.00 0.00 +0.193 C ATOM 17 O LIG 1 9.469 1.203 0.127 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 0.306 -0.958 0.788 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -0.981 -1.761 0.589 0.00 0.00 +0.028 C ATOM 20 C LIG 1 0.479 -0.557 2.255 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.730 1.165 -0.156 0.00 0.00 +0.115 C BRANCH 21 22 ATOM 22 C LIG 1 -1.604 0.976 -1.399 0.00 0.00 +0.042 C ATOM 23 C LIG 1 -2.928 1.740 -1.293 0.00 0.00 +0.092 C ATOM 24 C LIG 1 -3.236 2.180 -2.737 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -2.163 1.630 -3.584 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -2.428 0.691 -3.881 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -1.003 1.529 -2.684 0.00 0.00 +0.088 C BRANCH 23 28 ATOM 28 N LIG 1 -3.980 0.910 -0.719 0.00 0.00 -0.311 N ATOM 29 H LIG 1 -4.023 -0.063 -0.994 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 -5.138 1.483 -0.230 0.00 0.00 +0.214 C ATOM 31 O LIG 1 -5.305 2.694 -0.148 0.00 0.00 -0.276 OA BRANCH 30 32 ATOM 32 C LIG 1 -6.167 0.456 0.192 0.00 0.00 +0.100 C BRANCH 32 33 ATOM 33 C LIG 1 -7.415 1.114 0.773 0.00 0.00 +0.044 C BRANCH 33 34 ATOM 34 C LIG 1 -8.429 0.080 1.198 0.00 0.00 -0.047 A ATOM 35 C LIG 1 -9.384 -0.394 0.288 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -10.306 -1.367 0.675 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.280 -1.877 1.972 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.333 -1.415 2.883 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.409 -0.442 2.498 0.00 0.00 +0.003 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 14