REMARK Name = BDB003767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.813 -1.095 0.344 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.101 -1.911 0.864 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.891 -0.220 0.253 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -3.006 -0.625 0.874 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -4.121 0.154 0.835 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -5.274 -0.323 1.509 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -6.488 -0.460 0.806 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -7.085 0.643 0.185 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -6.571 2.026 0.320 0.00 0.00 +0.261 A ATOM 10 N LIG 1 -5.209 2.327 0.204 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -4.877 3.745 0.058 0.00 0.00 +0.152 C ATOM 12 O LIG 1 -7.425 2.912 0.424 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -8.294 0.499 -0.527 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -8.912 -0.742 -0.646 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.333 -1.847 -0.042 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -7.140 -1.705 0.675 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -4.963 -1.348 2.510 0.00 0.00 +0.151 C ATOM 18 C LIG 1 -4.126 1.390 0.190 0.00 0.00 +0.106 A ATOM 19 C LIG 1 -2.914 1.711 -0.403 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -1.809 0.940 -0.394 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 24 ATOM 21 C LIG 1 3.118 -1.209 -1.170 0.00 0.00 +0.049 A ATOM 22 C LIG 1 2.283 -0.162 -1.573 0.00 0.00 +0.069 A ATOM 23 C LIG 1 0.967 -0.126 -1.069 0.00 0.00 +0.036 A ATOM 24 C LIG 1 0.476 -1.109 -0.199 0.00 0.00 +0.034 A ATOM 25 C LIG 1 1.345 -2.148 0.171 0.00 0.00 +0.024 A ATOM 26 C LIG 1 2.652 -2.210 -0.314 0.00 0.00 +0.015 A BRANCH 21 32 ATOM 27 C LIG 1 9.041 0.354 1.005 0.00 0.00 +0.105 C ATOM 28 N LIG 1 7.727 0.680 0.459 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 6.665 -0.043 1.182 0.00 0.00 +0.103 C ATOM 30 C LIG 1 5.344 -0.133 0.396 0.00 0.00 +0.123 C ATOM 31 N LIG 1 5.521 -0.805 -0.899 0.00 0.00 -0.295 N ATOM 32 C LIG 1 4.497 -1.314 -1.679 0.00 0.00 +0.247 C ATOM 33 O LIG 1 4.650 -1.843 -2.775 0.00 0.00 -0.270 OA ATOM 34 C LIG 1 6.880 -0.789 -1.445 0.00 0.00 +0.123 C ATOM 35 C LIG 1 7.667 0.459 -1.002 0.00 0.00 +0.103 C ENDBRANCH 21 32 BRANCH 22 36 ATOM 36 C LIG 1 2.763 0.888 -2.539 0.00 0.00 +0.418 C ATOM 37 F LIG 1 2.927 0.419 -3.804 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.898 1.939 -2.653 0.00 0.00 -0.166 F ATOM 39 F LIG 1 3.950 1.449 -2.177 0.00 0.00 -0.166 F ENDBRANCH 22 36 ENDBRANCH 1 24 TORSDOF 4