REMARK Name = BDB038728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.881 -0.281 -1.174 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.488 -0.297 -1.040 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.771 0.882 -1.187 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.391 2.058 -1.443 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.735 2.093 -1.604 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.496 0.934 -1.486 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.370 0.926 -1.073 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.508 -0.143 -0.953 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.306 -1.342 -0.943 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.857 0.433 -0.862 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.744 1.814 -0.955 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.873 2.596 -0.895 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.121 1.990 -0.741 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.235 0.585 -0.646 0.00 0.00 -0.030 A ATOM 15 F LIG 1 2.781 3.928 -0.982 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.075 -0.207 -0.712 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.320 2.207 -1.117 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.594 -0.063 -0.481 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 5.692 -0.870 0.733 0.00 0.00 -0.290 NA ATOM 20 C LIG 1 5.540 -0.132 2.016 0.00 0.00 +0.085 C ATOM 21 C LIG 1 6.661 0.894 2.265 0.00 0.00 +0.179 C ATOM 22 O LIG 1 7.847 0.077 2.459 0.00 0.00 -0.371 OA ATOM 23 C LIG 1 7.354 -1.290 2.348 0.00 0.00 +0.081 C ATOM 24 C LIG 1 8.334 -2.262 2.955 0.00 0.00 +0.043 C ATOM 25 C LIG 1 5.980 -1.216 2.987 0.00 0.00 +0.057 C ATOM 26 C LIG 1 7.017 -1.535 0.862 0.00 0.00 +0.119 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -4.765 -2.216 0.217 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.679 -1.509 -1.006 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -5.369 -2.021 -2.124 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -6.112 -3.202 -2.043 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.176 -3.906 -0.840 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.501 -3.416 0.280 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -5.331 0.382 1.920 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -4.342 -0.634 2.159 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.097 -1.782 1.446 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -3.188 -2.480 2.103 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -2.803 -1.768 3.213 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -3.502 -0.660 3.230 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -6.932 -5.120 -0.755 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -7.562 -6.093 -0.693 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -4.387 3.415 -1.926 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.993 4.656 -1.157 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -5.348 4.051 -0.946 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 7