REMARK Name = BDB053366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.074 1.530 -2.014 0.00 0.00 +0.221 C ATOM 2 N LIG 1 0.140 0.543 -2.971 0.00 0.00 -0.294 N ATOM 3 O LIG 1 0.793 2.383 -1.774 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 -1.808 0.244 -0.566 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -1.382 1.589 -1.212 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -2.456 2.424 -1.923 0.00 0.00 +0.094 C ATOM 7 N LIG 1 -3.744 1.797 -2.213 0.00 0.00 -0.315 NA ATOM 8 H LIG 1 -3.677 1.253 -3.070 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 -4.203 0.940 -1.132 0.00 0.00 +0.081 C ATOM 10 C LIG 1 -3.233 -0.211 -0.932 0.00 0.00 +0.024 C BRANCH 4 16 ATOM 11 C LIG 1 -1.402 -0.006 5.198 0.00 0.00 +0.152 C ATOM 12 N LIG 1 -1.436 0.059 3.747 0.00 0.00 -0.318 N ATOM 13 C LIG 1 -0.769 -0.915 3.007 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -0.146 -1.860 3.484 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -0.881 -0.787 1.527 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -1.612 0.188 0.954 0.00 0.00 -0.037 A ATOM 17 C LIG 1 -2.253 1.166 1.813 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -2.154 1.075 3.145 0.00 0.00 +0.089 A ENDBRANCH 4 16 ENDBRANCH 1 5 BRANCH 2 19 ATOM 19 C LIG 1 -0.877 -0.223 -3.647 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -1.852 0.397 -4.615 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -0.776 -0.492 -5.136 0.00 0.00 +0.024 C ENDBRANCH 2 19 BRANCH 2 22 ATOM 22 C LIG 1 1.539 0.185 -3.250 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 2.142 -0.434 -2.023 0.00 0.00 -0.002 A ATOM 24 C LIG 1 1.917 -1.746 -1.495 0.00 0.00 +0.040 A ATOM 25 C LIG 1 2.581 -1.827 -0.263 0.00 0.00 +0.052 A ATOM 26 C LIG 1 2.509 -2.976 0.544 0.00 0.00 +0.026 A ATOM 27 C LIG 1 1.763 -4.067 0.085 0.00 0.00 +0.005 A ATOM 28 C LIG 1 1.111 -4.019 -1.141 0.00 0.00 +0.039 A ATOM 29 N LIG 1 3.223 -0.620 -0.073 0.00 0.00 -0.342 N ATOM 30 C LIG 1 1.183 -2.869 -1.927 0.00 0.00 +0.133 A ATOM 31 F LIG 1 0.541 -2.853 -3.104 0.00 0.00 -0.205 F ATOM 32 C LIG 1 3.009 0.196 -1.152 0.00 0.00 +0.092 A BRANCH 29 33 ATOM 33 C LIG 1 4.054 -0.252 1.069 0.00 0.00 +0.157 C BRANCH 33 34 ATOM 34 C LIG 1 3.262 0.420 2.163 0.00 0.00 -0.028 A ATOM 35 C LIG 1 3.078 -0.216 3.398 0.00 0.00 +0.005 A ATOM 36 C LIG 1 2.376 0.418 4.426 0.00 0.00 +0.000 A ATOM 37 C LIG 1 1.847 1.691 4.231 0.00 0.00 +0.000 A ATOM 38 C LIG 1 2.011 2.330 3.005 0.00 0.00 +0.000 A ATOM 39 C LIG 1 2.717 1.701 1.978 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7