REMARK Name = BDB035315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.736 0.893 0.563 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.647 1.642 1.333 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -2.928 1.169 1.679 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.273 -0.114 1.222 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -2.404 -0.894 0.445 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.139 -0.377 0.131 0.00 0.00 +0.034 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 4.980 1.843 -0.732 0.00 0.00 +0.033 A ATOM 8 N LIG 1 4.121 0.794 -0.463 0.00 0.00 -0.351 N ATOM 9 H LIG 1 4.397 -0.179 -0.401 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 2.862 1.281 -0.246 0.00 0.00 +0.131 A ATOM 11 C LIG 1 2.923 2.635 -0.374 0.00 0.00 +0.096 A ATOM 12 N LIG 1 1.817 3.458 -0.219 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 0.729 2.799 0.059 0.00 0.00 +0.207 A ATOM 14 N LIG 1 0.562 1.421 0.227 0.00 0.00 -0.266 N ATOM 15 C LIG 1 1.669 0.566 0.081 0.00 0.00 +0.282 A ATOM 16 O LIG 1 1.685 -0.650 0.248 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 4.237 3.014 -0.681 0.00 0.00 +0.052 A BRANCH 7 18 ATOM 18 C LIG 1 6.421 1.612 -1.024 0.00 0.00 +0.134 C BRANCH 18 19 ATOM 19 N LIG 1 6.968 0.691 -0.030 0.00 0.00 -0.308 NA ATOM 20 H LIG 1 6.845 1.125 0.887 0.00 0.00 +0.122 HD BRANCH 19 21 ATOM 21 C LIG 1 8.408 0.448 -0.227 0.00 0.00 +0.109 C BRANCH 21 22 ATOM 22 C LIG 1 8.769 -0.450 -1.426 0.00 0.00 +0.174 C BRANCH 22 24 ATOM 23 C LIG 1 7.297 -2.284 -1.040 0.00 0.00 +0.194 C ATOM 24 O LIG 1 8.643 -1.848 -1.155 0.00 0.00 -0.382 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 -2.808 -2.224 -0.038 0.00 0.00 -0.006 A ATOM 26 C LIG 1 -3.812 -2.412 -1.013 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -4.185 -3.694 -1.435 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -3.556 -4.798 -0.880 0.00 0.00 +0.124 A ATOM 29 F LIG 1 -3.911 -6.027 -1.278 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -2.562 -4.650 0.079 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -2.188 -3.370 0.496 0.00 0.00 +0.012 A BRANCH 26 32 ATOM 32 C LIG 1 -4.477 -1.253 -1.649 0.00 0.00 +0.248 C ATOM 33 N LIG 1 -5.834 -1.146 -1.458 0.00 0.00 -0.286 N ATOM 34 C LIG 1 -6.628 0.063 -1.647 0.00 0.00 +0.185 C ATOM 35 C LIG 1 -7.319 -0.259 -0.311 0.00 0.00 +0.280 C ATOM 36 F LIG 1 -8.673 -0.228 -0.320 0.00 0.00 -0.202 F ATOM 37 F LIG 1 -6.926 0.488 0.751 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -6.683 -1.661 -0.393 0.00 0.00 +0.185 C ATOM 39 O LIG 1 -3.821 -0.463 -2.317 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 5 25 BRANCH 3 40 ATOM 40 C LIG 1 -3.924 1.960 2.509 0.00 0.00 +0.019 C ATOM 41 C LIG 1 -3.955 3.469 2.491 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -3.473 2.746 3.716 0.00 0.00 +0.009 C ENDBRANCH 3 40 TORSDOF 9