REMARK Name = BDB053638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.537 2.490 0.017 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.099 1.544 -0.905 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -0.775 1.083 -0.870 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.130 1.537 0.093 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -0.341 2.465 1.036 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.660 2.929 1.006 0.00 0.00 +0.026 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 1.458 1.111 0.183 0.00 0.00 -0.284 N ATOM 8 H LIG 1 2.026 1.529 0.906 0.00 0.00 +0.155 HD BRANCH 7 9 ATOM 9 C LIG 1 2.249 0.224 -0.545 0.00 0.00 +0.221 A ATOM 10 N LIG 1 3.521 0.139 -0.111 0.00 0.00 -0.195 NA ATOM 11 C LIG 1 4.271 -0.720 -0.821 0.00 0.00 +0.164 A ATOM 12 C LIG 1 3.855 -1.475 -1.899 0.00 0.00 +0.057 A ATOM 13 C LIG 1 4.990 -2.206 -2.290 0.00 0.00 +0.146 A ATOM 14 N LIG 1 6.057 -1.945 -1.527 0.00 0.00 -0.177 NA ATOM 15 C LIG 1 2.533 -1.326 -2.277 0.00 0.00 +0.127 A ATOM 16 N LIG 1 5.595 -1.031 -0.636 0.00 0.00 -0.243 N ATOM 17 N LIG 1 1.743 -0.470 -1.587 0.00 0.00 -0.222 NA BRANCH 16 18 ATOM 18 C LIG 1 6.482 -0.486 0.396 0.00 0.00 +0.109 C ATOM 19 C LIG 1 7.691 0.236 -0.225 0.00 0.00 +0.027 C ATOM 20 C LIG 1 8.960 -0.601 -0.390 0.00 0.00 +0.002 C ATOM 21 C LIG 1 9.814 -0.643 0.876 0.00 0.00 +0.000 C ATOM 22 C LIG 1 9.268 -1.519 1.997 0.00 0.00 +0.000 C ATOM 23 C LIG 1 7.856 -1.170 2.465 0.00 0.00 +0.002 C ATOM 24 C LIG 1 6.784 -1.560 1.451 0.00 0.00 +0.027 C ENDBRANCH 16 18 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 25 ATOM 25 N LIG 1 -3.895 2.955 0.077 0.00 0.00 -0.208 N BRANCH 25 27 ATOM 26 C LIG 1 -3.483 5.067 -1.559 0.00 0.00 +0.218 C ATOM 27 S LIG 1 -4.569 3.678 -1.308 0.00 0.00 +0.043 S ATOM 28 O LIG 1 -4.447 2.781 -2.438 0.00 0.00 -0.155 OA ATOM 29 O LIG 1 -5.865 4.210 -0.934 0.00 0.00 -0.155 OA ENDBRANCH 25 27 BRANCH 25 30 ATOM 30 C LIG 1 -4.824 2.174 0.943 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 C LIG 1 -5.387 0.929 0.255 0.00 0.00 +0.036 C BRANCH 31 32 ATOM 32 C LIG 1 -6.317 0.166 1.208 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 N LIG 1 -6.900 -1.074 0.688 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 -7.667 -0.908 -0.542 0.00 0.00 +0.084 C ATOM 35 C LIG 1 -8.555 -2.136 -0.777 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -7.876 -3.455 -0.402 0.00 0.00 +0.002 C ATOM 37 C LIG 1 -6.363 -3.301 -0.350 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -5.945 -2.188 0.621 0.00 0.00 +0.084 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 9