REMARK Name = BDB036358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.385 1.798 0.007 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -1.269 2.570 -1.157 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.004 3.002 -1.634 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.143 2.644 -0.917 0.00 0.00 +0.024 A ATOM 5 S LIG 1 2.563 3.250 -1.700 0.00 0.00 -0.096 S ATOM 6 C LIG 1 1.669 3.978 -2.952 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.070 1.883 0.275 0.00 0.00 -0.019 A ATOM 8 C LIG 1 0.319 3.772 -2.803 0.00 0.00 +0.016 A ATOM 9 C LIG 1 -0.214 1.496 0.713 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.711 1.244 0.535 0.00 0.00 +0.060 C BRANCH 10 11 ATOM 11 C LIG 1 -2.725 -0.296 0.611 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.445 -1.157 -0.480 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -2.089 -0.684 -1.859 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -2.449 -2.527 -0.217 0.00 0.00 +0.068 A ATOM 15 N LIG 1 -2.176 -3.592 -1.124 0.00 0.00 -0.262 N ATOM 16 H LIG 1 -1.208 -3.498 -1.437 0.00 0.00 +0.168 HD ATOM 17 N LIG 1 -2.383 -4.822 -0.387 0.00 0.00 -0.161 NA ATOM 18 H LIG 1 -3.251 -5.241 -0.741 0.00 0.00 +0.168 HD ATOM 19 N LIG 1 -2.566 -4.456 0.990 0.00 0.00 -0.252 N ATOM 20 C LIG 1 -3.366 -5.288 1.873 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -2.721 -3.067 1.046 0.00 0.00 +0.068 A ATOM 22 C LIG 1 -3.031 -2.244 2.103 0.00 0.00 +0.026 A ATOM 23 C LIG 1 -3.035 -0.863 1.881 0.00 0.00 +0.006 A ENDBRANCH 10 11 BRANCH 10 24 ATOM 24 C LIG 1 -4.010 1.749 -0.114 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 -4.268 3.188 0.255 0.00 0.00 +0.308 C ATOM 26 O LIG 1 -4.280 3.615 1.402 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -4.512 3.927 -0.863 0.00 0.00 -0.465 OA BRANCH 27 29 ATOM 28 C LIG 1 -6.220 5.563 -0.325 0.00 0.00 +0.048 C ATOM 29 C LIG 1 -4.755 5.325 -0.645 0.00 0.00 +0.229 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 10 24 ENDBRANCH 1 10 BRANCH 7 30 ATOM 30 C LIG 1 2.284 1.430 1.064 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 2.917 0.222 0.508 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 4.303 0.047 0.982 0.00 0.00 +0.107 C ATOM 33 C LIG 1 4.440 -0.356 2.460 0.00 0.00 +0.031 C ATOM 34 C LIG 1 5.198 -0.812 0.086 0.00 0.00 +0.103 A ATOM 35 C LIG 1 4.732 -1.795 -0.800 0.00 0.00 +0.144 A ATOM 36 C LIG 1 5.648 -2.425 -1.649 0.00 0.00 +0.053 A ATOM 37 C LIG 1 6.996 -2.109 -1.574 0.00 0.00 +0.070 A ATOM 38 C LIG 1 7.364 -1.164 -0.648 0.00 0.00 +0.213 A ATOM 39 O LIG 1 3.440 -2.214 -0.959 0.00 0.00 -0.486 OA ATOM 40 C LIG 1 2.722 -2.312 0.273 0.00 0.00 +0.184 C ATOM 41 C LIG 1 1.657 -3.392 0.090 0.00 0.00 +0.053 C ATOM 42 N LIG 1 6.530 -0.513 0.177 0.00 0.00 -0.213 NA ATOM 43 C LIG 1 2.059 -0.967 0.625 0.00 0.00 +0.129 C BRANCH 38 44 ATOM 44 O LIG 1 8.664 -0.807 -0.504 0.00 0.00 -0.492 OA ATOM 45 H LIG 1 8.571 -0.130 0.190 0.00 0.00 +0.294 HD ENDBRANCH 38 44 ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 9