REMARK Name = BDB031820 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.554 -0.104 -2.515 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.355 1.082 -1.783 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.161 1.240 -1.070 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.852 0.293 -1.062 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.875 0.843 -0.224 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.512 2.041 0.247 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.672 -0.885 -1.811 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.295 2.250 -0.273 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.181 3.113 -0.041 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.524 -1.060 -2.526 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.291 -0.558 1.248 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.766 -0.802 -0.030 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.444 -0.338 -1.147 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.183 -0.421 -2.625 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.830 -0.314 -3.298 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.378 0.265 -3.247 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.183 0.700 -2.208 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.053 1.185 -2.361 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.572 0.401 -4.443 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.565 -1.639 -3.248 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.652 0.350 -0.965 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.200 0.607 0.274 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.501 0.145 1.394 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.989 -0.819 3.596 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.531 -1.058 2.271 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.030 0.178 0.013 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -3.157 -0.734 -0.419 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.172 0.496 0.782 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -5.244 -0.412 0.847 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -6.388 -0.222 1.548 0.00 0.00 -0.217 NA ATOM 31 C LIG 1 -6.497 0.936 2.235 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -7.758 1.159 3.014 0.00 0.00 +0.066 C ATOM 33 C LIG 1 -5.496 1.902 2.238 0.00 0.00 +0.025 A ATOM 34 C LIG 1 -4.329 1.675 1.506 0.00 0.00 +0.030 A BRANCH 29 35 ATOM 35 O LIG 1 -5.082 -1.589 0.122 0.00 0.00 -0.478 OA ATOM 36 C LIG 1 -6.203 -2.461 0.230 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5