REMARK Name = BDB020016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.342 0.845 0.600 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.240 0.063 0.211 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.342 -1.332 0.118 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.567 -1.951 0.394 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.688 -1.197 0.771 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.557 0.196 0.879 0.00 0.00 +0.014 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 0.877 4.935 2.452 0.00 0.00 +0.065 C ATOM 8 C LIG 1 -0.174 4.289 1.603 0.00 0.00 +0.039 A ATOM 9 N LIG 1 -1.018 5.106 0.935 0.00 0.00 -0.260 NA ATOM 10 C LIG 1 -1.958 4.525 0.163 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -2.104 3.155 0.021 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -1.230 2.309 0.710 0.00 0.00 -0.015 A ATOM 13 C LIG 1 -0.246 2.901 1.513 0.00 0.00 +0.031 A ENDBRANCH 1 12 BRANCH 3 14 ATOM 14 C LIG 1 0.799 -2.201 -0.295 0.00 0.00 +0.244 C ATOM 15 N LIG 1 2.058 -1.655 -0.255 0.00 0.00 -0.304 N ATOM 16 H LIG 1 2.255 -0.758 0.166 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 0.595 -3.364 -0.630 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 3.229 -2.445 -0.601 0.00 0.00 +0.180 C BRANCH 18 19 ATOM 19 C LIG 1 4.522 -1.661 -0.486 0.00 0.00 +0.146 A ATOM 20 N LIG 1 4.477 -0.454 0.130 0.00 0.00 -0.236 NA ATOM 21 C LIG 1 5.636 0.231 0.213 0.00 0.00 +0.042 A ATOM 22 C LIG 1 5.599 1.559 0.906 0.00 0.00 +0.066 C ATOM 23 C LIG 1 6.826 -0.266 -0.284 0.00 0.00 +0.046 A ATOM 24 C LIG 1 6.779 -1.503 -0.895 0.00 0.00 +0.042 A ATOM 25 C LIG 1 8.022 -2.120 -1.458 0.00 0.00 +0.066 C ATOM 26 N LIG 1 5.638 -2.214 -0.997 0.00 0.00 -0.236 NA ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 5 27 ATOM 27 C LIG 1 -4.010 -1.873 1.069 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 N LIG 1 -5.047 -1.458 0.148 0.00 0.00 -0.313 N ATOM 29 C LIG 1 -5.206 -1.933 -1.163 0.00 0.00 +0.204 A ATOM 30 N LIG 1 -4.480 -2.749 -1.837 0.00 0.00 -0.268 NA ATOM 31 H LIG 1 -3.677 -3.036 -1.280 0.00 0.00 +0.190 HD ATOM 32 N LIG 1 -6.373 -1.310 -1.613 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -6.872 -1.453 -2.958 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -6.877 -0.476 -0.628 0.00 0.00 +0.106 A ATOM 35 C LIG 1 -6.079 -0.572 0.445 0.00 0.00 +0.107 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 6