REMARK Name = BDB001659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.205 -0.781 0.154 0.00 0.00 +0.280 C ATOM 2 N LIG 1 2.216 0.042 -0.376 0.00 0.00 -0.176 N ATOM 3 C LIG 1 3.593 -0.121 -0.339 0.00 0.00 +0.098 A ATOM 4 C LIG 1 4.070 0.978 -1.042 0.00 0.00 +0.113 A ATOM 5 C LIG 1 5.452 1.153 -1.208 0.00 0.00 +0.032 A ATOM 6 C LIG 1 6.319 0.203 -0.655 0.00 0.00 +0.002 A ATOM 7 C LIG 1 5.821 -0.895 0.047 0.00 0.00 +0.002 A ATOM 8 N LIG 1 3.025 1.742 -1.474 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 4.445 -1.083 0.222 0.00 0.00 +0.030 A ATOM 10 N LIG 1 1.902 1.164 -1.076 0.00 0.00 -0.057 NA ATOM 11 O LIG 1 1.556 -1.846 0.665 0.00 0.00 -0.265 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 -3.079 -0.015 0.112 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -2.535 -1.310 0.045 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.152 -1.543 0.052 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -0.253 -0.478 0.129 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -0.760 0.815 0.236 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -2.147 1.033 0.225 0.00 0.00 +0.024 A BRANCH 12 19 ATOM 18 C LIG 1 -5.367 -0.875 -0.237 0.00 0.00 +0.129 C ATOM 19 N LIG 1 -4.459 0.216 0.118 0.00 0.00 -0.336 N ATOM 20 C LIG 1 -4.950 1.562 -0.175 0.00 0.00 +0.129 C ENDBRANCH 12 19 ENDBRANCH 1 15 TORSDOF 2