REMARK Name = BDB003310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.354 2.932 -0.125 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.625 2.146 0.696 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -1.705 0.807 0.526 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -2.534 0.207 -0.458 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -3.281 1.062 -1.290 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.114 0.512 -2.272 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -4.211 -0.874 -2.442 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -3.482 -1.754 -1.639 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -2.657 -1.194 -0.650 0.00 0.00 +0.035 A ATOM 10 C LIG 1 -3.186 2.445 -1.121 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 -0.931 -0.021 1.390 0.00 0.00 -0.284 N ATOM 12 C LIG 1 0.466 -0.190 1.198 0.00 0.00 +0.039 A ATOM 13 C LIG 1 1.390 -0.084 2.253 0.00 0.00 -0.025 A ATOM 14 C LIG 1 2.759 -0.305 2.022 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.242 -0.603 0.741 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.339 -0.708 -0.328 0.00 0.00 +0.027 A ATOM 17 C LIG 1 0.941 0.281 3.643 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -0.404 0.987 3.607 0.00 0.00 +0.024 C ATOM 19 C LIG 1 0.968 -0.486 -0.082 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -1.373 0.152 2.787 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 4.668 -0.798 0.577 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.478 -0.034 -0.234 0.00 0.00 +0.116 A ATOM 23 N LIG 1 6.742 -0.522 -0.074 0.00 0.00 -0.274 N ATOM 24 C LIG 1 7.945 -0.048 -0.715 0.00 0.00 +0.172 C ATOM 25 N LIG 1 6.813 -1.553 0.789 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 5.551 -1.706 1.200 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.781 -1.040 -1.730 0.00 0.00 +0.372 C ATOM 28 F LIG 1 3.254 0.047 -2.402 0.00 0.00 -0.204 F ATOM 29 F LIG 1 1.768 -1.531 -2.505 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 8 30 ATOM 30 N LIG 1 -3.565 -3.163 -1.800 0.00 0.00 -0.234 N ATOM 31 C LIG 1 -4.198 -3.857 -2.823 0.00 0.00 +0.407 C ATOM 32 O LIG 1 -4.832 -3.418 -3.769 0.00 0.00 -0.226 OA ATOM 33 O LIG 1 -4.005 -5.207 -2.658 0.00 0.00 -0.448 OA ATOM 34 C LIG 1 -3.420 -5.419 -1.376 0.00 0.00 +0.253 C ATOM 35 C LIG 1 -2.825 -4.089 -0.997 0.00 0.00 +0.158 C ENDBRANCH 8 30 BRANCH 1 39 ATOM 36 C LIG 1 -1.852 6.591 -0.942 0.00 0.00 +0.128 C ATOM 37 N LIG 1 -2.119 5.179 -1.048 0.00 0.00 -0.313 N ATOM 38 H LIG 1 -1.856 4.715 -1.908 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 -2.233 4.407 0.100 0.00 0.00 +0.262 C ATOM 40 O LIG 1 -2.227 4.877 1.232 0.00 0.00 -0.269 OA ENDBRANCH 1 39 TORSDOF 5