REMARK Name = BDB038382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.910 -0.194 0.398 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.526 -0.392 0.459 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.723 0.533 1.110 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.244 1.641 1.688 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 3.580 1.861 1.628 0.00 0.00 +0.047 A ATOM 6 C LIG 1 4.430 0.948 1.011 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.329 0.373 1.211 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.440 -0.701 0.786 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.125 -1.752 0.257 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.834 -0.373 1.114 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.859 0.874 1.732 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -3.057 1.424 2.148 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.229 0.690 1.931 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.203 -0.582 1.307 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -2.977 -1.119 0.887 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.472 1.416 1.831 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.490 -1.342 1.083 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 -6.304 -0.681 0.062 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 -5.756 -0.650 -0.800 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 -7.550 -1.413 -0.195 0.00 0.00 +0.082 C ATOM 21 C LIG 1 -8.565 -0.565 -0.987 0.00 0.00 +0.131 C ATOM 22 C LIG 1 -9.514 -1.581 -1.622 0.00 0.00 +0.033 C ATOM 23 C LIG 1 -8.787 -2.928 -1.582 0.00 0.00 +0.004 C ATOM 24 C LIG 1 -7.370 -2.630 -1.105 0.00 0.00 +0.021 C BRANCH 21 25 ATOM 25 O LIG 1 -7.905 0.169 -2.020 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -7.225 0.693 -1.554 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 5.599 -0.844 -1.396 0.00 0.00 +0.030 A ATOM 28 C LIG 1 4.784 -1.171 -0.282 0.00 0.00 -0.007 A ATOM 29 C LIG 1 4.811 -2.498 0.201 0.00 0.00 +0.012 A ATOM 30 C LIG 1 5.612 -3.473 -0.396 0.00 0.00 +0.039 A ATOM 31 C LIG 1 6.390 -3.134 -1.490 0.00 0.00 +0.124 A ATOM 32 F LIG 1 7.158 -4.066 -2.070 0.00 0.00 -0.205 F ATOM 33 C LIG 1 6.388 -1.840 -1.996 0.00 0.00 +0.050 A BRANCH 27 36 ATOM 34 C LIG 1 8.054 1.060 -1.594 0.00 0.00 +0.152 C ATOM 35 N LIG 1 6.721 1.319 -2.067 0.00 0.00 -0.317 N ATOM 36 C LIG 1 5.620 0.501 -1.974 0.00 0.00 +0.164 A ATOM 37 N LIG 1 4.588 1.153 -2.478 0.00 0.00 -0.129 NA ATOM 38 N LIG 1 5.016 2.387 -2.910 0.00 0.00 -0.138 NA ATOM 39 C LIG 1 6.299 2.470 -2.658 0.00 0.00 +0.225 A ENDBRANCH 27 36 ENDBRANCH 1 28 BRANCH 5 40 ATOM 40 C LIG 1 4.131 3.115 2.263 0.00 0.00 +0.038 C ATOM 41 C LIG 1 3.468 4.447 1.997 0.00 0.00 +0.010 C ATOM 42 C LIG 1 4.814 4.157 1.405 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 8