REMARK Name = BDB034225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.177 1.064 0.102 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.354 0.080 -0.855 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.330 -0.136 -1.544 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.095 -0.668 -0.935 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.176 -0.060 -0.081 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -0.891 -0.559 0.031 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.560 -1.694 -0.720 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -1.488 -2.281 -1.599 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.782 -1.770 -1.709 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -2.800 1.125 0.573 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.583 2.616 -1.874 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.575 2.437 -1.194 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.442 3.173 -1.425 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.487 3.798 -2.217 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.226 3.089 -0.798 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.258 3.726 -1.218 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.119 2.139 0.395 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.472 1.704 0.951 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.520 1.399 -0.103 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 0.698 -2.233 -0.709 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 1.155 -2.612 0.593 0.00 0.00 +0.190 C ATOM 22 C LIG 1 2.668 -2.326 0.765 0.00 0.00 +0.097 C ATOM 23 C LIG 1 3.008 -3.297 1.906 0.00 0.00 +0.023 C ATOM 24 C LIG 1 2.259 -4.575 1.552 0.00 0.00 +0.005 C ATOM 25 C LIG 1 1.051 -4.137 0.731 0.00 0.00 +0.046 C BRANCH 22 26 ATOM 26 N LIG 1 2.953 -0.927 1.144 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 4.409 -0.671 1.254 0.00 0.00 +0.094 C ATOM 28 C LIG 1 4.428 -0.107 -0.183 0.00 0.00 +0.047 C ATOM 29 C LIG 1 2.894 -0.022 -0.030 0.00 0.00 +0.094 C BRANCH 28 30 ATOM 30 C LIG 1 5.260 1.211 -0.493 0.00 0.00 -0.039 A ATOM 31 C LIG 1 6.196 1.255 -1.546 0.00 0.00 +0.042 A ATOM 32 C LIG 1 6.930 2.406 -1.825 0.00 0.00 +0.124 A ATOM 33 F LIG 1 7.809 2.397 -2.836 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.765 3.559 -1.073 0.00 0.00 +0.038 A ATOM 35 C LIG 1 5.852 3.557 -0.026 0.00 0.00 +0.003 A ATOM 36 C LIG 1 5.115 2.400 0.255 0.00 0.00 +0.004 A ENDBRANCH 28 30 ENDBRANCH 22 26 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5