REMARK Name = BDB014660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.221 -0.588 2.218 0.00 0.00 +0.324 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.182 -0.303 2.768 0.00 0.00 +0.251 C ATOM 3 N LIG 1 2.123 -0.083 1.777 0.00 0.00 -0.310 N ATOM 4 H LIG 1 1.906 -0.415 0.841 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 1.452 -0.249 3.964 0.00 0.00 -0.272 OA BRANCH 3 6 ATOM 6 C LIG 1 3.537 -0.018 2.085 0.00 0.00 +0.136 C BRANCH 6 7 ATOM 7 C LIG 1 4.325 0.962 1.202 0.00 0.00 +0.145 C BRANCH 7 8 ATOM 8 O LIG 1 5.731 0.794 1.418 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 5.900 0.932 2.366 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 4.011 0.876 -0.315 0.00 0.00 +0.117 C BRANCH 10 11 ATOM 11 N LIG 1 3.780 -0.480 -0.864 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 5.008 -1.303 -0.885 0.00 0.00 +0.120 C ATOM 13 C LIG 1 5.997 -0.966 -1.982 0.00 0.00 -0.030 A ATOM 14 C LIG 1 5.582 -0.306 -3.154 0.00 0.00 -0.042 A ATOM 15 C LIG 1 6.511 -0.043 -4.170 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.836 -0.457 -4.038 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.246 -1.127 -2.888 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.160 0.176 -3.288 0.00 0.00 +0.051 C ATOM 19 C LIG 1 7.331 -1.383 -1.866 0.00 0.00 +0.005 A ATOM 20 C LIG 1 3.223 -0.432 -2.231 0.00 0.00 +0.089 C ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 -1.172 -0.960 3.216 0.00 0.00 -0.481 OA BRANCH 21 23 ATOM 22 C LIG 1 -3.323 0.111 2.955 0.00 0.00 +0.147 A ATOM 23 C LIG 1 -2.036 0.060 3.504 0.00 0.00 +0.147 A ATOM 24 C LIG 1 -1.637 1.014 4.445 0.00 0.00 +0.047 A ATOM 25 C LIG 1 -2.505 2.041 4.811 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -3.780 2.107 4.253 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -4.194 1.143 3.329 0.00 0.00 +0.032 A BRANCH 22 28 ATOM 28 S LIG 1 -3.790 -1.137 1.780 0.00 0.00 +0.064 S ATOM 29 O LIG 1 -3.929 -2.383 2.501 0.00 0.00 -0.153 OA ATOM 30 O LIG 1 -2.889 -1.001 0.650 0.00 0.00 -0.153 OA BRANCH 28 31 ATOM 31 N LIG 1 -5.331 -0.725 1.213 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 -6.498 -1.106 2.020 0.00 0.00 +0.131 C BRANCH 31 33 ATOM 33 C LIG 1 -5.497 0.394 0.265 0.00 0.00 +0.115 C BRANCH 33 37 ATOM 34 C LIG 1 -4.907 0.126 -4.129 0.00 0.00 +0.104 C ATOM 35 N LIG 1 -5.897 -0.210 -3.112 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 -6.128 0.938 -2.200 0.00 0.00 +0.090 C ATOM 37 C LIG 1 -6.129 -0.079 -1.032 0.00 0.00 +0.033 C ATOM 38 C LIG 1 -5.257 -0.936 -1.982 0.00 0.00 +0.090 C ENDBRANCH 33 37 ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 22 28 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 12