REMARK Name = BDB031922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.281 -0.854 -1.289 0.00 0.00 +0.152 A ATOM 2 C LIG 1 1.070 -0.434 -1.509 0.00 0.00 +0.041 A ATOM 3 C LIG 1 1.660 -1.466 -2.226 0.00 0.00 +0.068 A ATOM 4 C LIG 1 2.997 -1.449 -2.638 0.00 0.00 +0.031 A ATOM 5 C LIG 1 3.794 -0.340 -2.296 0.00 0.00 -0.041 A ATOM 6 C LIG 1 3.194 0.721 -1.595 0.00 0.00 +0.005 A ATOM 7 N LIG 1 0.667 -2.389 -2.396 0.00 0.00 -0.275 N ATOM 8 H LIG 1 0.725 -3.274 -2.886 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 1.851 0.691 -1.190 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -0.501 -2.057 -1.829 0.00 0.00 -0.158 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.253 -0.270 -2.690 0.00 0.00 +0.040 C ATOM 12 C LIG 1 6.362 -0.248 -1.656 0.00 0.00 +0.081 C ATOM 13 C LIG 1 6.171 -0.286 -0.165 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.147 0.542 0.410 0.00 0.00 +0.038 A ATOM 15 C LIG 1 7.266 0.744 1.768 0.00 0.00 +0.027 A ATOM 16 C LIG 1 6.351 0.080 2.588 0.00 0.00 +0.047 A ATOM 17 C LIG 1 5.356 -0.758 2.046 0.00 0.00 +0.120 A ATOM 18 N LIG 1 7.945 1.092 -0.596 0.00 0.00 -0.284 N ATOM 19 H LIG 1 8.727 1.713 -0.451 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 5.276 -0.953 0.662 0.00 0.00 +0.052 A ATOM 21 C LIG 1 7.551 0.665 -1.851 0.00 0.00 +0.228 C ATOM 22 O LIG 1 8.048 0.953 -2.926 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 6.165 -1.468 -2.511 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 4.529 -1.329 2.978 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 3.399 -2.038 2.480 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 -1.161 -0.084 -0.605 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -0.836 0.812 -0.248 0.00 0.00 +0.154 HD BRANCH 26 31 ATOM 28 C LIG 1 -5.224 -0.380 0.392 0.00 0.00 +0.104 A ATOM 29 N LIG 1 -4.508 0.694 0.803 0.00 0.00 -0.208 NA ATOM 30 C LIG 1 -3.199 0.734 0.451 0.00 0.00 +0.237 A ATOM 31 C LIG 1 -2.530 -0.248 -0.301 0.00 0.00 +0.095 A ATOM 32 C LIG 1 -3.298 -1.341 -0.691 0.00 0.00 +0.031 A ATOM 33 C LIG 1 -4.649 -1.410 -0.349 0.00 0.00 +0.033 A BRANCH 28 34 ATOM 34 P LIG 1 -6.955 -0.467 0.798 0.00 0.00 +0.133 P ATOM 35 O LIG 1 -7.620 -1.781 0.438 0.00 0.00 -0.315 OA BRANCH 34 37 ATOM 36 C LIG 1 -7.136 2.168 -0.250 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -7.869 0.861 -0.023 0.00 0.00 +0.072 C ENDBRANCH 34 37 BRANCH 34 38 ATOM 38 C LIG 1 -7.197 -0.206 2.572 0.00 0.00 +0.072 C ATOM 39 C LIG 1 -6.872 1.157 3.141 0.00 0.00 +0.012 C ENDBRANCH 34 38 ENDBRANCH 28 34 BRANCH 30 40 ATOM 40 O LIG 1 -2.428 1.825 0.836 0.00 0.00 -0.478 OA ATOM 41 C LIG 1 -3.147 2.769 1.621 0.00 0.00 +0.279 C ENDBRANCH 30 40 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 8