REMARK Name = BDB038760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.618 -1.746 -0.024 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.996 -2.748 0.804 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.305 -2.921 1.117 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.268 -2.069 0.582 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.901 -1.018 -0.264 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.545 -0.872 -0.571 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.190 -0.896 -1.440 0.00 0.00 -0.030 A ATOM 8 C LIG 1 2.901 -0.365 -1.627 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.837 -1.010 -1.021 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.407 -0.671 -1.046 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.241 -1.637 -0.288 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.682 -2.615 0.270 0.00 0.00 +0.154 C ATOM 13 O LIG 1 -0.030 0.298 -1.638 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.996 -2.152 -0.248 0.00 0.00 +0.018 A ATOM 15 C LIG 1 3.251 -2.681 -0.063 0.00 0.00 +0.129 A ATOM 16 F LIG 1 3.422 -3.781 0.679 0.00 0.00 -0.205 F ATOM 17 C LIG 1 4.352 -2.062 -0.657 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 5.391 -0.237 -2.091 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 5.965 1.390 -0.336 0.00 0.00 +0.083 C ATOM 20 N LIG 1 5.511 1.187 -1.737 0.00 0.00 -0.293 NA ATOM 21 C LIG 1 6.541 1.842 -2.562 0.00 0.00 +0.085 C ATOM 22 C LIG 1 7.862 1.664 -1.830 0.00 0.00 +0.017 C ATOM 23 C LIG 1 7.491 1.318 -0.395 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 5.447 2.730 0.244 0.00 0.00 +0.178 C BRANCH 24 26 ATOM 25 C LIG 1 5.601 5.082 0.190 0.00 0.00 +0.194 C ATOM 26 O LIG 1 6.149 3.859 -0.281 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -4.908 -0.085 -0.808 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.771 0.680 0.014 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -6.750 1.506 -0.570 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -6.864 1.609 -1.958 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.002 0.878 -2.775 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.039 0.040 -2.206 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 -5.708 0.638 1.473 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -4.684 1.102 2.261 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -3.479 1.777 1.859 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -5.038 0.830 3.548 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -6.216 0.255 3.567 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -6.645 0.148 2.265 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 -7.859 2.462 -2.539 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.656 3.158 -3.015 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -3.634 -4.054 2.069 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.930 -4.824 1.992 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.683 -3.893 3.146 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 9