REMARK Name = BDB006333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.610 1.969 -0.423 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.880 3.148 -0.215 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.257 3.132 0.621 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.199 4.129 1.024 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -2.116 3.517 1.867 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.754 2.189 1.988 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -3.298 4.106 2.559 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -1.201 5.561 0.613 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.618 1.933 1.238 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.117 0.749 1.054 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.238 0.786 0.219 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 3.055 0.903 -2.061 0.00 0.00 -0.307 N ATOM 13 H LIG 1 2.443 0.102 -1.998 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 2.798 2.031 -1.315 0.00 0.00 +0.244 C ATOM 15 O LIG 1 3.475 3.051 -1.370 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 4.231 0.785 -2.893 0.00 0.00 +0.140 C BRANCH 16 20 ATOM 17 C LIG 1 7.140 -1.767 -0.965 0.00 0.00 +0.162 A ATOM 18 C LIG 1 6.932 -0.454 -0.500 0.00 0.00 +0.162 A ATOM 19 C LIG 1 5.993 0.363 -1.140 0.00 0.00 +0.054 A ATOM 20 C LIG 1 5.252 -0.108 -2.236 0.00 0.00 -0.027 A ATOM 21 C LIG 1 5.460 -1.416 -2.683 0.00 0.00 +0.009 A ATOM 22 C LIG 1 6.399 -2.238 -2.055 0.00 0.00 +0.050 A BRANCH 17 24 ATOM 23 C LIG 1 8.363 -3.811 -0.770 0.00 0.00 +0.277 C ATOM 24 O LIG 1 8.077 -2.507 -0.287 0.00 0.00 -0.491 OA ENDBRANCH 17 24 BRANCH 18 25 ATOM 25 O LIG 1 7.690 -0.066 0.578 0.00 0.00 -0.491 OA ATOM 26 C LIG 1 7.475 1.240 1.094 0.00 0.00 +0.277 C ENDBRANCH 18 25 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -2.423 1.193 2.828 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.200 0.162 2.041 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.999 0.509 0.943 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.734 -0.464 0.257 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -4.704 -1.807 0.659 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -3.914 -2.150 1.764 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.177 -1.179 2.451 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -5.470 -2.831 -0.069 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -6.879 -2.868 -0.102 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -7.558 -3.818 -0.881 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -6.844 -4.766 -1.610 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -5.452 -4.763 -1.570 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -4.774 -3.804 -0.812 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.721 -1.919 0.654 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.662 -1.292 0.205 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -7.396 -1.888 1.957 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -8.022 -1.245 2.346 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 10