REMARK Name = BDB038675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.772 -0.205 0.595 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.425 -0.867 0.297 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.611 -0.150 0.228 0.00 0.00 +0.131 A ATOM 4 N LIG 1 -1.645 1.188 0.429 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 -0.500 1.843 0.693 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.713 1.173 0.809 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.844 -0.769 -0.052 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -3.099 -2.119 -0.238 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -2.363 -3.088 -0.193 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.537 -2.238 -0.514 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.277 -3.376 -0.774 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -6.644 -3.216 -1.004 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -7.231 -1.937 -0.968 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -6.466 -0.786 -0.701 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -5.104 -0.966 -0.475 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -4.043 0.044 -0.169 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -7.085 0.585 -0.658 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -6.924 1.187 0.552 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -8.424 0.590 -0.904 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -6.533 1.431 -1.571 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 24 ATOM 21 C LIG 1 4.409 -2.496 0.965 0.00 0.00 +0.123 A ATOM 22 C LIG 1 4.331 -1.481 0.012 0.00 0.00 +0.058 A ATOM 23 C LIG 1 3.166 -0.696 -0.124 0.00 0.00 +0.030 A ATOM 24 C LIG 1 2.042 -0.953 0.695 0.00 0.00 -0.007 A ATOM 25 C LIG 1 2.146 -1.976 1.656 0.00 0.00 +0.013 A ATOM 26 C LIG 1 3.316 -2.728 1.794 0.00 0.00 +0.046 A BRANCH 23 27 ATOM 27 C LIG 1 3.164 0.361 -1.137 0.00 0.00 +0.164 A ATOM 28 N LIG 1 3.998 1.454 -1.151 0.00 0.00 -0.317 N ATOM 29 C LIG 1 4.997 1.811 -0.179 0.00 0.00 +0.152 C ATOM 30 C LIG 1 3.663 2.181 -2.251 0.00 0.00 +0.225 A ATOM 31 N LIG 1 2.678 1.591 -2.882 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 2.361 0.451 -2.181 0.00 0.00 -0.129 NA ENDBRANCH 23 27 BRANCH 21 33 ATOM 33 O LIG 1 5.489 -3.299 1.199 0.00 0.00 -0.480 OA BRANCH 33 34 ATOM 34 C LIG 1 6.505 -3.377 0.196 0.00 0.00 +0.317 C BRANCH 34 36 ATOM 35 C LIG 1 8.365 -1.493 0.554 0.00 0.00 +0.007 C ATOM 36 C LIG 1 7.527 -2.338 0.393 0.00 0.00 -0.065 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 21 33 ENDBRANCH 1 24 BRANCH 5 37 ATOM 37 N LIG 1 -0.501 3.238 0.901 0.00 0.00 -0.329 N ATOM 38 H LIG 1 0.200 3.639 0.282 0.00 0.00 +0.147 HD BRANCH 37 39 ATOM 39 C LIG 1 -1.804 3.868 0.712 0.00 0.00 +0.099 C ATOM 40 C LIG 1 -1.681 5.360 0.980 0.00 0.00 +0.024 C ENDBRANCH 37 39 ENDBRANCH 5 37 TORSDOF 9