REMARK Name = BDB019489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.443 2.494 -2.147 0.00 0.00 -0.218 N ATOM 2 C LIG 1 -0.511 1.216 -1.617 0.00 0.00 +0.077 A ATOM 3 C LIG 1 0.783 0.662 -1.724 0.00 0.00 +0.055 A ATOM 4 C LIG 1 0.999 -0.647 -1.214 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.096 -1.342 -0.644 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -1.381 -0.800 -0.563 0.00 0.00 -0.012 A ATOM 7 C LIG 1 1.573 1.671 -2.351 0.00 0.00 +0.145 A ATOM 8 C LIG 1 -1.585 0.496 -1.055 0.00 0.00 +0.037 A ATOM 9 C LIG 1 0.818 2.783 -2.598 0.00 0.00 +0.158 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.487 -1.565 0.026 0.00 0.00 +0.019 A ATOM 11 C LIG 1 -2.398 -2.227 1.233 0.00 0.00 +0.124 A ATOM 12 N LIG 1 -3.400 -2.937 1.798 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 -4.565 -3.014 1.138 0.00 0.00 +0.218 A ATOM 14 N LIG 1 -4.756 -2.401 -0.042 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 -3.725 -1.700 -0.567 0.00 0.00 +0.124 A BRANCH 13 16 ATOM 16 N LIG 1 -5.615 -3.733 1.694 0.00 0.00 -0.297 N ATOM 17 C LIG 1 -5.265 -4.655 2.775 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -6.540 -5.147 3.512 0.00 0.00 +0.100 C ATOM 19 N LIG 1 -7.795 -5.157 2.726 0.00 0.00 -0.313 NA ATOM 20 H LIG 1 -8.182 -4.212 2.797 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -7.471 -5.358 1.302 0.00 0.00 +0.100 C ATOM 22 C LIG 1 -6.601 -4.220 0.717 0.00 0.00 +0.123 C ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 4 23 ATOM 23 C LIG 1 2.308 -1.372 -1.190 0.00 0.00 +0.245 C ATOM 24 N LIG 1 3.317 -0.953 -2.016 0.00 0.00 -0.307 N ATOM 25 H LIG 1 3.225 -0.070 -2.513 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 2.434 -2.330 -0.429 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 4.641 -1.546 -2.016 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 5.579 -0.722 -1.189 0.00 0.00 +0.075 A ATOM 29 C LIG 1 6.050 0.570 -1.771 0.00 0.00 +0.257 A ATOM 30 O LIG 1 5.666 0.982 -2.862 0.00 0.00 -0.267 OA ATOM 31 N LIG 1 6.946 1.298 -1.019 0.00 0.00 -0.326 N ATOM 32 H LIG 1 7.252 2.173 -1.433 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 7.452 0.900 0.195 0.00 0.00 +0.019 A ATOM 34 C LIG 1 8.431 1.812 0.865 0.00 0.00 +0.063 C ATOM 35 C LIG 1 7.050 -0.271 0.709 0.00 0.00 +0.067 A ATOM 36 C LIG 1 6.073 -1.083 0.010 0.00 0.00 +0.132 A BRANCH 36 37 ATOM 37 O LIG 1 5.773 -2.292 0.597 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 4.895 -2.135 1.714 0.00 0.00 +0.277 C ENDBRANCH 36 37 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 4 23 BRANCH 1 39 ATOM 39 S LIG 1 -1.664 3.684 -1.996 0.00 0.00 +0.061 S ATOM 40 O LIG 1 -2.898 2.992 -2.325 0.00 0.00 -0.152 OA ATOM 41 O LIG 1 -1.206 4.803 -2.798 0.00 0.00 -0.152 OA BRANCH 39 42 ATOM 42 C LIG 1 -1.745 4.234 -0.266 0.00 0.00 +0.112 C ATOM 43 C LIG 1 -2.824 3.585 0.581 0.00 0.00 +0.034 C ATOM 44 C LIG 1 -3.018 4.989 0.069 0.00 0.00 +0.034 C BRANCH 42 45 ATOM 45 C LIG 1 -0.421 4.621 0.319 0.00 0.00 +0.058 C BRANCH 45 47 ATOM 46 C LIG 1 0.966 6.439 -0.773 0.00 0.00 +0.004 C ATOM 47 C LIG 1 -0.006 6.049 0.073 0.00 0.00 -0.032 C ENDBRANCH 45 47 ENDBRANCH 42 45 ENDBRANCH 39 42 ENDBRANCH 1 39 BRANCH 7 48 ATOM 48 O LIG 1 2.871 1.589 -2.666 0.00 0.00 -0.505 OA ATOM 49 H LIG 1 3.206 2.395 -3.101 0.00 0.00 +0.292 HD ENDBRANCH 7 48 TORSDOF 11