REMARK Name = BDB019894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.003 0.856 -0.130 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.828 0.761 -0.880 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.030 -0.386 -0.797 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.424 -1.449 0.029 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.610 -1.377 0.780 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.386 -0.208 0.698 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -4.531 3.364 -0.555 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -3.579 4.202 -0.113 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.508 3.411 0.110 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -2.815 2.052 -0.198 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -4.128 2.063 -0.614 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -1.196 3.938 0.628 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -1.264 5.217 1.085 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -0.726 3.187 1.664 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -0.229 3.917 -0.330 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -6.745 4.042 0.285 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -5.836 3.884 -0.920 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.209 -0.442 -1.624 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.219 -1.262 -1.172 0.00 0.00 -0.307 N ATOM 20 H LIG 1 2.167 -1.664 -0.247 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 1.297 0.246 -2.635 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.502 -1.331 -1.838 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 4.512 -0.568 -1.024 0.00 0.00 -0.014 A ATOM 24 C LIG 1 5.478 -1.169 -0.308 0.00 0.00 +0.094 A ATOM 25 N LIG 1 6.401 -0.443 0.428 0.00 0.00 -0.318 N ATOM 26 C LIG 1 7.410 -1.167 1.183 0.00 0.00 +0.152 C ATOM 27 C LIG 1 6.390 0.951 0.469 0.00 0.00 +0.251 A ATOM 28 O LIG 1 7.176 1.644 1.109 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 5.332 1.613 -0.339 0.00 0.00 +0.070 A ATOM 30 C LIG 1 4.456 0.881 -1.039 0.00 0.00 +0.012 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -2.035 -2.492 1.718 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -1.833 -3.808 1.151 0.00 0.00 -0.295 N ATOM 33 C LIG 1 -0.739 -4.622 1.357 0.00 0.00 +0.296 A ATOM 34 N LIG 1 0.303 -4.458 2.088 0.00 0.00 -0.250 NA ATOM 35 H LIG 1 0.245 -3.576 2.594 0.00 0.00 +0.191 HD ATOM 36 O LIG 1 -0.851 -5.781 0.598 0.00 0.00 -0.431 OA ATOM 37 C LIG 1 -2.067 -5.570 -0.061 0.00 0.00 +0.217 A ATOM 38 C LIG 1 -2.653 -4.421 0.248 0.00 0.00 +0.129 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8