REMARK Name = BDB004918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.559 0.021 -0.375 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.206 0.143 0.319 0.00 0.00 -0.025 A ATOM 3 C LIG 1 0.799 0.956 -0.236 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.059 1.104 0.367 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.314 0.363 1.526 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.328 -0.445 2.099 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.076 -0.554 1.502 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.027 1.854 -0.306 0.00 0.00 -0.314 N ATOM 9 H LIG 1 2.615 2.613 -0.841 0.00 0.00 +0.149 HD BRANCH 8 10 ATOM 10 C LIG 1 4.173 2.382 0.390 0.00 0.00 +0.249 C BRANCH 10 11 ATOM 11 C LIG 1 5.344 1.478 0.437 0.00 0.00 +0.083 A ATOM 12 N LIG 1 5.405 0.358 -0.346 0.00 0.00 -0.277 N ATOM 13 H LIG 1 4.691 0.025 -0.988 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 6.551 -0.331 -0.208 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 7.216 0.351 0.725 0.00 0.00 +0.066 A ATOM 16 C LIG 1 6.511 1.485 1.170 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 8.618 -0.055 1.260 0.00 0.00 +0.040 C ATOM 18 C LIG 1 8.703 -1.149 2.292 0.00 0.00 +0.010 C ATOM 19 C LIG 1 9.215 -1.391 0.903 0.00 0.00 +0.010 C ENDBRANCH 15 17 ENDBRANCH 10 11 BRANCH 10 20 ATOM 20 O LIG 1 4.556 3.516 -0.367 0.00 0.00 -0.369 OA ATOM 21 H LIG 1 5.519 3.490 -0.468 0.00 0.00 +0.212 HD ENDBRANCH 10 20 ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 N LIG 1 -2.606 0.315 0.616 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -2.294 0.995 1.303 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.864 0.727 0.133 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.960 0.745 1.018 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -6.189 1.187 0.493 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -7.301 1.183 1.357 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -7.201 0.734 2.686 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -5.987 0.296 3.190 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.279 1.580 -0.797 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.176 1.510 -1.550 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.873 0.307 2.362 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -3.974 1.096 -1.150 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -8.659 1.633 0.928 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -9.666 1.332 1.559 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -8.757 2.411 -0.188 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -9.687 2.578 -0.546 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -7.976 2.444 -0.836 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 1 39 ATOM 39 C LIG 1 -1.786 -1.395 -0.949 0.00 0.00 +0.042 C BRANCH 39 40 ATOM 40 C LIG 1 -0.827 -1.725 -2.102 0.00 0.00 +0.086 C BRANCH 40 42 ATOM 41 C LIG 1 0.104 -3.448 -3.510 0.00 0.00 +0.104 C ATOM 42 N LIG 1 -1.015 -3.092 -2.630 0.00 0.00 -0.308 NA ATOM 43 C LIG 1 -2.278 -3.232 -3.360 0.00 0.00 +0.104 C ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 1 39 TORSDOF 12