REMARK Name = BDB036338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.488 -0.616 -0.731 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.557 -1.631 -1.718 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.492 -2.535 -1.917 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.196 -3.471 -2.966 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.038 -3.269 -3.532 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.652 -2.423 -1.109 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.763 -1.435 -0.122 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.852 -1.956 -2.822 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.695 -0.547 0.039 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.588 0.403 -0.476 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -3.950 2.190 0.911 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.005 1.362 1.430 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.181 0.169 0.793 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.212 -0.825 0.665 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.468 -1.992 0.006 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -5.704 -2.178 -0.504 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -6.728 -1.260 -0.379 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -2.841 -0.727 1.315 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -2.958 -0.879 2.841 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -2.015 0.438 0.929 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -6.460 -0.073 0.290 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -2.546 1.732 1.363 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -5.329 3.357 -0.880 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -4.084 2.528 -0.587 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 2.997 -1.264 0.770 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.860 -0.068 0.330 0.00 0.00 -0.034 A ATOM 27 C LIG 1 4.193 0.981 1.235 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.718 0.986 2.662 0.00 0.00 +0.046 C ATOM 29 C LIG 1 4.994 2.036 0.742 0.00 0.00 +0.116 A ATOM 30 N LIG 1 5.460 3.162 1.374 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 6.177 3.863 0.506 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 6.159 3.194 -0.660 0.00 0.00 -0.247 N ATOM 33 C LIG 1 6.864 3.734 -1.792 0.00 0.00 +0.175 C ATOM 34 C LIG 1 5.439 2.034 -0.575 0.00 0.00 +0.089 A ATOM 35 C LIG 1 5.139 1.015 -1.477 0.00 0.00 +0.030 A ATOM 36 C LIG 1 4.346 -0.030 -0.996 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 C LIG 1 3.896 -2.500 0.938 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 3.170 -3.593 1.666 0.00 0.00 +0.306 C ATOM 39 O LIG 1 2.644 -3.508 2.763 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 3.156 -4.755 0.986 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 2.644 -5.360 1.564 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 7 25 TORSDOF 8