REMARK Name = BDB034983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.293 -0.017 2.828 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.933 0.172 1.482 0.00 0.00 -0.020 A ATOM 3 C LIG 1 1.158 0.132 0.322 0.00 0.00 +0.093 A ATOM 4 C LIG 1 1.848 0.307 -0.895 0.00 0.00 +0.092 A ATOM 5 C LIG 1 1.089 0.266 -2.049 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -0.289 0.061 -1.996 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -0.906 -0.103 -0.760 0.00 0.00 +0.090 A ATOM 8 N LIG 1 3.178 0.509 -0.991 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 3.889 0.547 0.142 0.00 0.00 +0.117 A ATOM 10 N LIG 1 -0.180 -0.066 0.390 0.00 0.00 -0.243 NA ATOM 11 C LIG 1 3.316 0.377 1.389 0.00 0.00 +0.048 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.366 -0.324 -0.625 0.00 0.00 +0.089 A ATOM 13 N LIG 1 -3.091 -0.346 -1.778 0.00 0.00 -0.253 NA ATOM 14 C LIG 1 -4.425 -0.546 -1.685 0.00 0.00 +0.111 A ATOM 15 C LIG 1 -5.096 -0.729 -0.489 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -4.356 -0.705 0.684 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -2.979 -0.501 0.618 0.00 0.00 +0.030 A ENDBRANCH 7 12 BRANCH 9 18 ATOM 18 N LIG 1 5.262 0.732 0.012 0.00 0.00 -0.343 N ATOM 19 H LIG 1 5.452 0.873 -0.977 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 5.593 1.507 0.574 0.00 0.00 +0.144 HD ENDBRANCH 9 18 TORSDOF 2