REMARK Name = BDB063003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.340 -1.607 0.573 0.00 0.00 +0.065 C ATOM 2 C LIG 1 2.047 -0.880 0.353 0.00 0.00 +0.041 A ATOM 3 N LIG 1 0.909 -1.598 0.467 0.00 0.00 -0.237 NA ATOM 4 C LIG 1 -0.262 -0.962 0.284 0.00 0.00 +0.122 A ATOM 5 N LIG 1 -1.399 -1.738 0.470 0.00 0.00 -0.329 N ATOM 6 H LIG 1 -1.135 -2.718 0.447 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -2.579 -1.318 -0.248 0.00 0.00 +0.103 C ATOM 8 C LIG 1 -2.872 0.132 0.112 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -1.701 1.024 -0.297 0.00 0.00 +0.040 C ATOM 10 C LIG 1 -0.352 0.402 -0.026 0.00 0.00 -0.005 A ATOM 11 C LIG 1 0.840 1.136 -0.158 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.837 2.598 -0.501 0.00 0.00 +0.044 C ATOM 13 C LIG 1 2.054 0.476 0.048 0.00 0.00 +0.026 A ENDROOT TORSDOF 0