REMARK Name = BDB011191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.147 -2.270 -0.141 0.00 0.00 +0.146 A ATOM 2 C LIG 1 2.800 -1.915 0.077 0.00 0.00 +0.114 A ATOM 3 N LIG 1 1.962 -2.809 0.636 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 0.653 -2.513 0.725 0.00 0.00 +0.127 A ATOM 5 C LIG 1 0.129 -1.286 0.374 0.00 0.00 +0.082 A ATOM 6 C LIG 1 0.987 -0.280 -0.037 0.00 0.00 +0.070 A ATOM 7 N LIG 1 0.425 1.031 -0.147 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -0.956 1.213 -0.366 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -1.396 2.348 -0.580 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -1.780 0.087 -0.228 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -1.320 -1.090 0.365 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -2.008 -2.010 0.803 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 2.340 -0.634 -0.327 0.00 0.00 +0.028 A ATOM 14 C LIG 1 3.234 0.172 -1.068 0.00 0.00 +0.012 A ATOM 15 C LIG 1 4.557 -0.198 -1.296 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.021 -1.410 -0.812 0.00 0.00 +0.048 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 -3.192 0.239 -0.511 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -4.184 -0.363 0.277 0.00 0.00 +0.053 A ATOM 19 C LIG 1 -5.539 -0.236 -0.059 0.00 0.00 +0.090 A ATOM 20 C LIG 1 -5.940 0.509 -1.165 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -4.970 1.123 -1.950 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -3.615 0.986 -1.628 0.00 0.00 +0.026 A BRANCH 19 23 ATOM 23 S LIG 1 -6.752 -1.022 0.974 0.00 0.00 -0.006 S ATOM 24 O LIG 1 -6.414 -0.700 2.347 0.00 0.00 -0.170 OA ATOM 25 O LIG 1 -8.061 -0.705 0.436 0.00 0.00 -0.170 OA ATOM 26 C LIG 1 -6.470 -2.754 0.712 0.00 0.00 +0.200 C ENDBRANCH 19 23 ENDBRANCH 10 17 BRANCH 7 27 ATOM 27 C LIG 1 1.114 2.243 0.337 0.00 0.00 +0.092 C ATOM 28 C LIG 1 2.257 2.153 1.358 0.00 0.00 +0.025 C ATOM 29 C LIG 1 2.917 3.522 1.243 0.00 0.00 +0.002 C ATOM 30 C LIG 1 2.894 3.805 -0.253 0.00 0.00 +0.002 C ATOM 31 C LIG 1 1.565 3.236 -0.748 0.00 0.00 +0.025 C ENDBRANCH 7 27 BRANCH 1 33 ATOM 32 C LIG 1 5.869 -3.917 0.159 0.00 0.00 +0.277 C ATOM 33 O LIG 1 4.518 -3.513 0.327 0.00 0.00 -0.493 OA ENDBRANCH 1 33 TORSDOF 4