REMARK Name = BDB034978 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.365 0.433 -0.549 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.765 1.199 -0.818 0.00 0.00 +0.077 A ATOM 3 C LIG 1 2.021 0.789 -0.403 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.101 -0.441 0.290 0.00 0.00 +0.092 A ATOM 5 C LIG 1 3.373 -0.834 0.706 0.00 0.00 -0.020 A ATOM 6 C LIG 1 4.479 -0.022 0.428 0.00 0.00 +0.048 A ATOM 7 C LIG 1 4.290 1.159 -0.268 0.00 0.00 +0.117 A ATOM 8 C LIG 1 3.559 -2.120 1.461 0.00 0.00 +0.046 C ATOM 9 N LIG 1 1.018 -1.210 0.545 0.00 0.00 -0.250 NA ATOM 10 N LIG 1 3.084 1.572 -0.677 0.00 0.00 -0.231 NA ATOM 11 C LIG 1 -0.187 -0.766 0.119 0.00 0.00 +0.157 A ENDROOT BRANCH 7 12 ATOM 12 N LIG 1 5.364 1.999 -0.542 0.00 0.00 -0.343 N ATOM 13 H LIG 1 6.111 1.513 -1.023 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 5.004 2.777 -1.092 0.00 0.00 +0.144 HD ENDBRANCH 7 12 BRANCH 1 15 ATOM 15 O LIG 1 -1.565 0.905 -1.023 0.00 0.00 -0.454 OA BRANCH 15 18 ATOM 16 C LIG 1 -3.527 -0.653 -2.362 0.00 0.00 +0.047 C ATOM 17 C LIG 1 -3.697 -0.177 -0.949 0.00 0.00 -0.008 A ATOM 18 C LIG 1 -2.697 0.574 -0.314 0.00 0.00 +0.131 A ATOM 19 C LIG 1 -2.870 1.042 0.993 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -4.031 0.723 1.694 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.021 -0.047 1.085 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.857 -0.492 -0.229 0.00 0.00 +0.007 A ENDBRANCH 15 18 ENDBRANCH 1 15 TORSDOF 3