REMARK Name = BDB022775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.712 -0.695 0.677 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -1.321 -1.476 1.811 0.00 0.00 +0.177 A ATOM 3 N LIG 1 -0.145 -2.102 1.592 0.00 0.00 -0.166 NA ATOM 4 N LIG 1 0.242 -1.675 0.374 0.00 0.00 -0.266 N ATOM 5 C LIG 1 -0.664 -0.845 -0.213 0.00 0.00 +0.122 A ENDROOT BRANCH 1 7 ATOM 6 O LIG 1 -2.868 1.046 -0.389 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.880 0.136 0.434 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -4.012 -0.189 1.147 0.00 0.00 -0.307 N ATOM 9 H LIG 1 -4.083 -1.104 1.581 0.00 0.00 +0.149 HD BRANCH 8 10 ATOM 10 C LIG 1 -5.268 0.484 0.885 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 C LIG 1 -6.026 -0.133 -0.268 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -6.522 0.553 -1.399 0.00 0.00 +0.076 A ATOM 13 C LIG 1 -7.035 -0.191 -2.489 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -7.142 -1.581 -2.435 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.737 -2.253 -1.293 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -6.189 -1.534 -0.236 0.00 0.00 +0.130 A ATOM 17 F LIG 1 -5.780 -2.222 0.842 0.00 0.00 -0.205 F BRANCH 12 18 ATOM 18 N LIG 1 -6.588 1.971 -1.518 0.00 0.00 -0.200 N ATOM 19 N LIG 1 -6.756 2.579 -2.719 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 -6.825 3.879 -2.472 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 -6.774 4.125 -1.129 0.00 0.00 -0.116 NA ATOM 22 C LIG 1 -6.657 2.949 -0.556 0.00 0.00 +0.250 A ENDBRANCH 12 18 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 7 BRANCH 2 23 ATOM 23 C LIG 1 -2.067 -1.604 3.110 0.00 0.00 +0.437 C ATOM 24 F LIG 1 -2.233 -0.399 3.719 0.00 0.00 -0.164 F ATOM 25 F LIG 1 -3.321 -2.101 2.905 0.00 0.00 -0.164 F ATOM 26 F LIG 1 -1.471 -2.422 4.015 0.00 0.00 -0.164 F ENDBRANCH 2 23 BRANCH 4 27 ATOM 27 C LIG 1 1.496 -2.142 -0.204 0.00 0.00 +0.178 C BRANCH 27 28 ATOM 28 C LIG 1 2.591 -1.115 -0.061 0.00 0.00 -0.026 A ATOM 29 C LIG 1 3.154 -0.846 1.194 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.167 0.106 1.331 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.637 0.809 0.214 0.00 0.00 -0.028 A ATOM 32 C LIG 1 4.076 0.538 -1.041 0.00 0.00 +0.006 A ATOM 33 C LIG 1 3.062 -0.413 -1.178 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 5.742 1.833 0.351 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 N LIG 1 7.038 1.320 -0.086 0.00 0.00 -0.311 N ATOM 36 C LIG 1 7.478 1.626 -1.373 0.00 0.00 +0.252 A ATOM 37 O LIG 1 6.864 2.315 -2.184 0.00 0.00 -0.268 OA ATOM 38 C LIG 1 8.800 1.061 -1.762 0.00 0.00 +0.070 A ATOM 39 C LIG 1 9.490 0.300 -0.903 0.00 0.00 +0.007 A ATOM 40 C LIG 1 8.962 0.016 0.405 0.00 0.00 +0.018 A ATOM 41 C LIG 1 7.778 0.520 0.772 0.00 0.00 +0.089 A ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 9