REMARK Name = BDB015132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.023 2.518 0.357 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.443 1.187 0.334 0.00 0.00 +0.054 A ATOM 3 C LIG 1 2.708 0.809 0.826 0.00 0.00 -0.011 A ATOM 4 C LIG 1 3.540 1.808 1.353 0.00 0.00 +0.009 A ATOM 5 C LIG 1 3.124 3.139 1.391 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.868 3.488 0.899 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.125 -0.606 0.809 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.286 -1.053 0.147 0.00 0.00 +0.136 A ATOM 9 C LIG 1 4.617 -2.416 0.114 0.00 0.00 +0.047 A ATOM 10 C LIG 1 3.824 -3.347 0.780 0.00 0.00 +0.004 A ATOM 11 C LIG 1 2.688 -2.923 1.464 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.341 -1.569 1.473 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 O LIG 1 5.041 -0.138 -0.560 0.00 0.00 -0.455 OA BRANCH 13 14 ATOM 14 C LIG 1 6.401 -0.116 -0.340 0.00 0.00 +0.128 A ATOM 15 C LIG 1 7.202 0.169 -1.447 0.00 0.00 +0.046 A ATOM 16 C LIG 1 8.588 0.242 -1.307 0.00 0.00 +0.004 A ATOM 17 C LIG 1 9.173 0.043 -0.057 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.373 -0.221 1.055 0.00 0.00 +0.004 A ATOM 19 C LIG 1 6.986 -0.294 0.917 0.00 0.00 +0.046 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 O LIG 1 -0.181 2.991 -0.078 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.951 2.191 -0.984 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 C LIG 1 -2.119 1.509 -0.255 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 O LIG 1 -1.671 0.324 0.421 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -2.486 -0.202 0.561 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -3.222 1.095 -1.253 0.00 0.00 +0.119 C BRANCH 25 26 ATOM 26 N LIG 1 -4.265 0.269 -0.601 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -5.063 -0.429 -1.634 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -6.253 -1.183 -1.080 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.792 -0.859 0.177 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.913 -1.551 0.654 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.513 -2.541 -0.123 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.994 -2.852 -1.378 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.124 0.184 1.034 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -6.872 -2.175 -1.856 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.169 1.082 0.234 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 9