REMARK Name = BDB008770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.964 -0.534 0.403 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.709 -0.842 0.049 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.022 0.045 -0.697 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.521 1.271 -1.094 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.815 1.611 -0.699 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.551 0.675 0.043 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.403 2.891 -1.061 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.057 4.117 -0.505 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.694 5.265 -0.953 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -2.125 6.327 -0.214 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -1.201 5.888 0.650 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -2.451 7.769 -0.306 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -3.650 5.264 -1.906 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -3.923 4.043 -2.382 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -1.190 4.549 0.465 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -0.310 3.754 1.291 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -3.368 2.874 -2.012 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.304 -2.640 1.672 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.744 -1.429 1.150 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.700 -1.159 1.326 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.154 -3.067 1.629 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.458 -3.405 2.380 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.635 -2.832 3.787 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -3.204 -5.506 1.173 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.214 -4.857 2.478 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -3.926 -5.290 3.063 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 1.298 -0.368 -1.046 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.409 -0.734 -1.321 0.00 0.00 -0.059 C BRANCH 28 29 ATOM 29 C LIG 1 3.728 -1.195 -1.620 0.00 0.00 +0.029 A ATOM 30 C LIG 1 4.436 -1.946 -0.680 0.00 0.00 +0.027 A ATOM 31 C LIG 1 5.736 -2.406 -0.963 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.346 -2.113 -2.202 0.00 0.00 +0.106 A ATOM 33 N LIG 1 7.595 -2.541 -2.495 0.00 0.00 -0.252 NA ATOM 34 C LIG 1 8.257 -3.275 -1.570 0.00 0.00 +0.111 A ATOM 35 C LIG 1 7.737 -3.610 -0.334 0.00 0.00 +0.020 A ATOM 36 C LIG 1 5.603 -1.361 -3.117 0.00 0.00 +0.150 A ATOM 37 F LIG 1 6.127 -1.062 -4.319 0.00 0.00 -0.203 F ATOM 38 C LIG 1 6.457 -3.163 -0.029 0.00 0.00 +0.011 A ATOM 39 C LIG 1 4.313 -0.901 -2.845 0.00 0.00 +0.057 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6